data_25151 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25151 _Entry.PDB_ID 2MT7 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25151 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN N N 2 118.762 118.762 120.508 -1.746 25151 2 1 1 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.811 0.008 25151 3 1 1 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.222 -0.012 25151 4 1 1 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.091 0.004 25151 5 1 1 . 1 1 2 2 ASN H H 2 8.792 8.792 8.248 0.544 25151 6 1 1 . 1 1 3 3 ASP N N 3 120.996 120.996 119.285 1.711 25151 7 1 1 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.720 -0.070 25151 8 1 1 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.559 0.535 25151 9 1 1 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.743 -0.852 25151 10 1 1 . 1 1 3 3 ASP H H 3 8.549 8.549 8.566 -0.017 25151 11 1 1 . 1 1 4 4 CYS N N 4 115.969 115.969 116.422 -0.453 25151 12 1 1 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.542 -0.661 25151 13 1 1 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.072 -2.639 25151 14 1 1 . 1 1 4 4 CYS CB C 4 43.435 43.435 31.128 12.307 25151 15 1 1 . 1 1 4 4 CYS H H 4 8.054 8.054 8.362 -0.308 25151 16 1 1 . 1 1 5 5 LEU N N 5 121.566 121.566 120.118 1.448 25151 17 1 1 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.721 -0.290 25151 18 1 1 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.519 1.012 25151 19 1 1 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.817 -1.536 25151 20 1 1 . 1 1 5 5 LEU H H 5 8.540 8.540 8.312 0.228 25151 21 1 1 . 1 1 6 6 GLY N N 6 108.453 108.453 107.836 0.617 25151 22 1 1 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.088 -0.807 25151 23 1 1 . 1 1 6 6 GLY H H 6 8.235 8.235 8.191 0.044 25151 24 1 1 . 1 1 7 7 PHE N N 7 118.965 118.965 120.026 -1.061 25151 25 1 1 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.183 -0.775 25151 26 1 1 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.966 2.640 25151 27 1 1 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.611 -1.080 25151 28 1 1 . 1 1 7 7 PHE H H 7 8.202 8.202 8.224 -0.022 25151 29 1 1 . 1 1 8 8 TRP N N 8 120.031 120.031 119.272 0.759 25151 30 1 1 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.797 0.042 25151 31 1 1 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.429 0.618 25151 32 1 1 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.487 0.313 25151 33 1 1 . 1 1 8 8 TRP H H 8 9.067 9.067 8.079 0.988 25151 34 1 1 . 1 1 9 9 SER N N 9 117.187 117.187 115.235 1.952 25151 35 1 1 . 1 1 9 9 SER HA H 9 4.445 4.445 4.716 -0.271 25151 36 1 1 . 1 1 9 9 SER CA C 9 59.703 59.703 57.307 2.396 25151 37 1 1 . 1 1 9 9 SER CB C 9 64.804 64.804 64.355 0.449 25151 38 1 1 . 1 1 9 9 SER H H 9 8.165 8.165 7.577 0.588 25151 39 1 1 . 1 1 10 10 ALA N N 10 127.547 127.547 129.334 -1.787 25151 40 1 1 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.454 0.460 25151 41 1 1 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.832 0.290 25151 42 1 1 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.124 -0.229 25151 43 1 1 . 1 1 10 10 ALA H H 10 8.713 8.713 8.762 -0.049 25151 44 1 1 . 1 1 11 11 CYS N N 11 116.934 116.934 118.157 -1.223 25151 45 1 1 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.654 0.145 25151 46 1 1 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.980 -2.916 25151 47 1 1 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.522 15.250 25151 48 1 1 . 1 1 11 11 CYS H H 11 8.200 8.200 8.085 0.115 25151 49 1 1 . 1 1 12 12 ASN N N 12 119.371 119.371 118.328 1.043 25151 50 1 1 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.191 -0.066 25151 51 1 1 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.361 -1.924 25151 52 1 1 . 1 1 12 12 ASN CB C 12 40.234 40.234 41.113 -0.879 25151 53 1 1 . 1 1 12 12 ASN H H 12 9.125 9.125 8.208 0.917 25151 54 1 1 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 55 1 1 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.174 -2.846 25151 56 1 1 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.402 -0.371 25151 57 1 1 . 1 1 14 14 LYS N N 14 113.430 113.430 117.549 -4.119 25151 58 1 1 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.398 -0.170 25151 59 1 1 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.682 -0.317 25151 60 1 1 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.701 -0.435 25151 61 1 1 . 1 1 14 14 LYS H H 14 7.648 7.648 8.200 -0.552 25151 62 1 1 . 1 1 15 15 ASN N N 15 119.066 119.066 117.700 1.366 25151 63 1 1 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.801 -0.159 25151 64 1 1 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.436 0.193 25151 65 1 1 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.158 -1.267 25151 66 1 1 . 1 1 15 15 ASN H H 15 7.562 7.562 7.757 -0.195 25151 67 1 1 . 1 1 16 16 ASP N N 16 124.551 124.551 124.079 0.472 25151 68 1 1 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.575 -0.440 25151 69 1 1 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.699 1.203 25151 70 1 1 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.645 1.285 25151 71 1 1 . 1 1 16 16 ASP H H 16 8.618 8.618 8.401 0.217 25151 72 1 1 . 1 1 17 17 LYS N N 17 127.750 127.750 124.871 2.879 25151 73 1 1 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.586 0.083 25151 74 1 1 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.016 -0.922 25151 75 1 1 . 1 1 17 17 LYS H H 17 7.913 7.913 8.485 -0.572 25151 76 1 1 . 1 1 18 18 CYS N N 18 122.012 122.012 117.236 4.776 25151 77 1 1 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.365 0.614 25151 78 1 1 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.113 -3.230 25151 79 1 1 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.429 11.633 25151 80 1 1 . 1 1 18 18 CYS H H 18 9.343 9.343 7.593 1.750 25151 81 1 1 . 1 1 19 19 CYS N N 19 120.742 120.742 119.861 0.881 25151 82 1 1 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 83 1 1 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.737 -2.972 25151 84 1 1 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.993 10.648 25151 85 1 1 . 1 1 19 19 CYS H H 19 9.347 9.347 8.385 0.962 25151 86 1 1 . 1 1 20 20 ALA N N 20 119.473 119.473 123.876 -4.403 25151 87 1 1 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 88 1 1 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.255 1.272 25151 89 1 1 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.868 1.039 25151 90 1 1 . 1 1 20 20 ALA H H 20 8.087 8.087 8.579 -0.491 25151 91 1 1 . 1 1 21 21 ASN N N 21 112.414 112.414 111.433 0.981 25151 92 1 1 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.303 0.029 25151 93 1 1 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.536 1.698 25151 94 1 1 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.765 0.423 25151 95 1 1 . 1 1 21 21 ASN H H 21 8.660 8.660 8.468 0.192 25151 96 1 1 . 1 1 22 22 LEU N N 22 121.250 121.250 118.077 3.173 25151 97 1 1 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.920 1.118 25151 98 1 1 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.388 -2.310 25151 99 1 1 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.497 2.621 25151 100 1 1 . 1 1 22 22 LEU H H 22 8.407 8.407 7.767 0.640 25151 101 1 1 . 1 1 23 23 VAL N N 23 116.883 116.883 116.963 -0.080 25151 102 1 1 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.316 0.130 25151 103 1 1 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.184 -0.369 25151 104 1 1 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.681 -0.134 25151 105 1 1 . 1 1 23 23 VAL H H 23 9.184 9.184 8.002 1.182 25151 106 1 1 . 1 1 24 24 CYS N N 24 126.988 126.988 128.493 -1.505 25151 107 1 1 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.166 -0.597 25151 108 1 1 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.158 -1.277 25151 109 1 1 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.707 12.638 25151 110 1 1 . 1 1 24 24 CYS H H 24 9.743 9.743 8.726 1.017 25151 111 1 1 . 1 1 25 25 SER N N 25 123.484 123.484 122.779 0.705 25151 112 1 1 . 1 1 25 25 SER HA H 25 4.452 4.452 4.529 -0.077 25151 113 1 1 . 1 1 25 25 SER CA C 25 57.812 57.812 58.992 -1.181 25151 114 1 1 . 1 1 25 25 SER CB C 25 63.906 63.906 64.350 -0.444 25151 115 1 1 . 1 1 25 25 SER H H 25 8.338 8.338 8.612 -0.274 25151 116 1 1 . 1 1 26 26 SER N N 26 125.516 125.516 124.607 0.909 25151 117 1 1 . 1 1 26 26 SER HA H 26 3.868 3.868 4.354 -0.486 25151 118 1 1 . 1 1 26 26 SER CA C 26 64.609 64.609 60.451 4.158 25151 119 1 1 . 1 1 26 26 SER CB C 26 62.477 62.477 63.163 -0.686 25151 120 1 1 . 1 1 26 26 SER H H 26 8.983 8.983 8.919 0.064 25151 121 1 1 . 1 1 27 27 LYS N N 27 119.269 119.269 121.536 -2.267 25151 122 1 1 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.278 -0.238 25151 123 1 1 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.315 0.524 25151 124 1 1 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.789 0.414 25151 125 1 1 . 1 1 27 27 LYS H H 27 7.650 7.650 7.555 0.095 25151 126 1 1 . 1 1 28 28 HIS N N 28 112.008 112.008 116.158 -4.150 25151 127 1 1 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.256 -0.134 25151 128 1 1 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.669 -1.233 25151 129 1 1 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.811 -1.538 25151 130 1 1 . 1 1 28 28 HIS H H 28 6.929 6.929 7.649 -0.720 25151 131 1 1 . 1 1 29 29 LYS N N 29 115.258 115.258 116.670 -1.412 25151 132 1 1 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.190 -0.352 25151 133 1 1 . 1 1 29 29 LYS CA C 29 57.812 57.812 56.988 0.824 25151 134 1 1 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.975 -2.162 25151 135 1 1 . 1 1 29 29 LYS H H 29 8.153 8.153 8.216 -0.063 25151 136 1 1 . 1 1 30 30 TRP N N 30 112.008 112.008 115.163 -3.155 25151 137 1 1 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.281 0.521 25151 138 1 1 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.816 0.512 25151 139 1 1 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.265 0.853 25151 140 1 1 . 1 1 30 30 TRP H H 30 6.910 6.910 8.061 -1.151 25151 141 1 1 . 1 1 31 31 CYS N N 31 120.387 120.387 122.479 -2.092 25151 142 1 1 . 1 1 31 31 CYS HA H 31 4.983 4.983 4.982 0.001 25151 143 1 1 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.560 -3.781 25151 144 1 1 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.933 14.625 25151 145 1 1 . 1 1 31 31 CYS H H 31 8.581 8.581 8.767 -0.186 25151 146 1 1 . 1 1 32 32 LYS N N 32 122.824 122.824 124.532 -1.708 25151 147 1 1 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.842 0.638 25151 148 1 1 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.245 0.531 25151 149 1 1 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.755 0.386 25151 150 1 1 . 1 1 32 32 LYS H H 32 9.326 9.326 8.413 0.913 25151 151 1 1 . 1 1 33 33 GLY N N 33 106.828 106.828 105.952 0.876 25151 152 1 1 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.873 1.981 25151 153 1 1 . 1 1 33 33 GLY H H 33 8.424 8.424 8.251 0.173 25151 154 1 1 . 1 1 34 34 LYS N N 34 122.367 122.367 125.513 -3.146 25151 155 1 1 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.132 -0.047 25151 156 1 1 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.645 1.166 25151 157 1 1 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.577 0.894 25151 158 1 1 . 1 1 34 34 LYS H H 34 8.123 8.123 8.409 -0.286 25151 159 1 2 . 1 1 2 2 ASN N N 2 118.762 118.762 119.012 -0.250 25151 160 1 2 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.802 0.017 25151 161 1 2 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.360 -0.150 25151 162 1 2 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.567 -0.472 25151 163 1 2 . 1 1 2 2 ASN H H 2 8.792 8.792 8.177 0.615 25151 164 1 2 . 1 1 3 3 ASP N N 3 120.996 120.996 121.266 -0.270 25151 165 1 2 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.905 -0.255 25151 166 1 2 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.823 0.272 25151 167 1 2 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.663 -0.772 25151 168 1 2 . 1 1 3 3 ASP H H 3 8.549 8.549 8.327 0.222 25151 169 1 2 . 1 1 4 4 CYS N N 4 115.969 115.969 116.650 -0.681 25151 170 1 2 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.278 -0.397 25151 171 1 2 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.139 -2.705 25151 172 1 2 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.183 13.252 25151 173 1 2 . 1 1 4 4 CYS H H 4 8.054 8.054 8.364 -0.310 25151 174 1 2 . 1 1 5 5 LEU N N 5 121.566 121.566 120.343 1.223 25151 175 1 2 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.731 -0.300 25151 176 1 2 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.431 1.100 25151 177 1 2 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.873 -1.592 25151 178 1 2 . 1 1 5 5 LEU H H 5 8.540 8.540 8.339 0.201 25151 179 1 2 . 1 1 6 6 GLY N N 6 108.453 108.453 107.849 0.604 25151 180 1 2 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.091 -0.810 25151 181 1 2 . 1 1 6 6 GLY H H 6 8.235 8.235 8.197 0.038 25151 182 1 2 . 1 1 7 7 PHE N N 7 118.965 118.965 120.012 -1.047 25151 183 1 2 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.178 -0.770 25151 184 1 2 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.982 2.624 25151 185 1 2 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.584 -1.054 25151 186 1 2 . 1 1 7 7 PHE H H 7 8.202 8.202 8.224 -0.022 25151 187 1 2 . 1 1 8 8 TRP N N 8 120.031 120.031 119.651 0.380 25151 188 1 2 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.801 0.038 25151 189 1 2 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.332 0.715 25151 190 1 2 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.570 0.230 25151 191 1 2 . 1 1 8 8 TRP H H 8 9.067 9.067 8.064 1.003 25151 192 1 2 . 1 1 9 9 SER N N 9 117.187 117.187 115.451 1.736 25151 193 1 2 . 1 1 9 9 SER HA H 9 4.445 4.445 4.733 -0.288 25151 194 1 2 . 1 1 9 9 SER CA C 9 59.703 59.703 56.979 2.724 25151 195 1 2 . 1 1 9 9 SER CB C 9 64.804 64.804 64.130 0.674 25151 196 1 2 . 1 1 9 9 SER H H 9 8.165 8.165 7.571 0.594 25151 197 1 2 . 1 1 10 10 ALA N N 10 127.547 127.547 129.531 -1.984 25151 198 1 2 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.471 0.443 25151 199 1 2 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.876 0.246 25151 200 1 2 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.096 -0.201 25151 201 1 2 . 1 1 10 10 ALA H H 10 8.713 8.713 8.795 -0.082 25151 202 1 2 . 1 1 11 11 CYS N N 11 116.934 116.934 118.104 -1.170 25151 203 1 2 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.972 -0.173 25151 204 1 2 . 1 1 11 11 CYS CA C 11 54.064 54.064 57.136 -3.072 25151 205 1 2 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.776 14.996 25151 206 1 2 . 1 1 11 11 CYS H H 11 8.200 8.200 8.286 -0.086 25151 207 1 2 . 1 1 12 12 ASN N N 12 119.371 119.371 119.359 0.012 25151 208 1 2 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.166 -0.041 25151 209 1 2 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.148 -1.711 25151 210 1 2 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.942 -0.708 25151 211 1 2 . 1 1 12 12 ASN H H 12 9.125 9.125 8.410 0.715 25151 212 1 2 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 213 1 2 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.180 -2.852 25151 214 1 2 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.410 -0.379 25151 215 1 2 . 1 1 14 14 LYS N N 14 113.430 113.430 117.489 -4.059 25151 216 1 2 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.399 -0.171 25151 217 1 2 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.574 -0.208 25151 218 1 2 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.684 -0.419 25151 219 1 2 . 1 1 14 14 LYS H H 14 7.648 7.648 8.194 -0.546 25151 220 1 2 . 1 1 15 15 ASN N N 15 119.066 119.066 117.651 1.415 25151 221 1 2 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.798 -0.156 25151 222 1 2 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.555 0.074 25151 223 1 2 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.324 -1.433 25151 224 1 2 . 1 1 15 15 ASN H H 15 7.562 7.562 7.731 -0.169 25151 225 1 2 . 1 1 16 16 ASP N N 16 124.551 124.551 124.332 0.219 25151 226 1 2 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.587 -0.452 25151 227 1 2 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.649 1.253 25151 228 1 2 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.636 1.294 25151 229 1 2 . 1 1 16 16 ASP H H 16 8.618 8.618 8.404 0.214 25151 230 1 2 . 1 1 17 17 LYS N N 17 127.750 127.750 124.988 2.762 25151 231 1 2 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.604 0.065 25151 232 1 2 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.789 -0.695 25151 233 1 2 . 1 1 17 17 LYS H H 17 7.913 7.913 8.498 -0.585 25151 234 1 2 . 1 1 18 18 CYS N N 18 122.012 122.012 117.321 4.691 25151 235 1 2 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.363 0.616 25151 236 1 2 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.158 -3.275 25151 237 1 2 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.458 11.604 25151 238 1 2 . 1 1 18 18 CYS H H 18 9.343 9.343 7.619 1.724 25151 239 1 2 . 1 1 19 19 CYS N N 19 120.742 120.742 119.809 0.933 25151 240 1 2 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.533 -0.092 25151 241 1 2 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.823 -3.058 25151 242 1 2 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.969 10.672 25151 243 1 2 . 1 1 19 19 CYS H H 19 9.347 9.347 8.370 0.977 25151 244 1 2 . 1 1 20 20 ALA N N 20 119.473 119.473 123.935 -4.462 25151 245 1 2 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.945 0.171 25151 246 1 2 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.267 1.260 25151 247 1 2 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.880 1.027 25151 248 1 2 . 1 1 20 20 ALA H H 20 8.087 8.087 8.576 -0.489 25151 249 1 2 . 1 1 21 21 ASN N N 21 112.414 112.414 111.550 0.864 25151 250 1 2 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.309 0.023 25151 251 1 2 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.530 1.704 25151 252 1 2 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.794 0.394 25151 253 1 2 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 254 1 2 . 1 1 22 22 LEU N N 22 121.250 121.250 118.131 3.119 25151 255 1 2 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.931 1.107 25151 256 1 2 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.346 -2.268 25151 257 1 2 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.733 2.385 25151 258 1 2 . 1 1 22 22 LEU H H 22 8.407 8.407 7.756 0.651 25151 259 1 2 . 1 1 23 23 VAL N N 23 116.883 116.883 116.574 0.309 25151 260 1 2 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.342 0.104 25151 261 1 2 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.916 -0.101 25151 262 1 2 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.446 0.102 25151 263 1 2 . 1 1 23 23 VAL H H 23 9.184 9.184 8.028 1.156 25151 264 1 2 . 1 1 24 24 CYS N N 24 126.988 126.988 127.830 -0.842 25151 265 1 2 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.168 -0.599 25151 266 1 2 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.089 -1.208 25151 267 1 2 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.777 12.568 25151 268 1 2 . 1 1 24 24 CYS H H 24 9.743 9.743 8.740 1.003 25151 269 1 2 . 1 1 25 25 SER N N 25 123.484 123.484 122.802 0.682 25151 270 1 2 . 1 1 25 25 SER HA H 25 4.452 4.452 4.539 -0.087 25151 271 1 2 . 1 1 25 25 SER CA C 25 57.812 57.812 58.998 -1.186 25151 272 1 2 . 1 1 25 25 SER CB C 25 63.906 63.906 64.303 -0.397 25151 273 1 2 . 1 1 25 25 SER H H 25 8.338 8.338 8.601 -0.263 25151 274 1 2 . 1 1 26 26 SER N N 26 125.516 125.516 125.090 0.426 25151 275 1 2 . 1 1 26 26 SER HA H 26 3.868 3.868 4.371 -0.503 25151 276 1 2 . 1 1 26 26 SER CA C 26 64.609 64.609 60.215 4.394 25151 277 1 2 . 1 1 26 26 SER CB C 26 62.477 62.477 63.122 -0.645 25151 278 1 2 . 1 1 26 26 SER H H 26 8.983 8.983 8.877 0.106 25151 279 1 2 . 1 1 27 27 LYS N N 27 119.269 119.269 121.124 -1.855 25151 280 1 2 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.264 -0.224 25151 281 1 2 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.638 0.201 25151 282 1 2 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.800 0.403 25151 283 1 2 . 1 1 27 27 LYS H H 27 7.650 7.650 7.596 0.054 25151 284 1 2 . 1 1 28 28 HIS N N 28 112.008 112.008 115.939 -3.931 25151 285 1 2 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.264 -0.142 25151 286 1 2 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.064 -1.628 25151 287 1 2 . 1 1 28 28 HIS CB C 28 28.273 28.273 30.034 -1.761 25151 288 1 2 . 1 1 28 28 HIS H H 28 6.929 6.929 7.739 -0.810 25151 289 1 2 . 1 1 29 29 LYS N N 29 115.258 115.258 116.730 -1.472 25151 290 1 2 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.168 -0.330 25151 291 1 2 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.113 0.699 25151 292 1 2 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.066 -2.253 25151 293 1 2 . 1 1 29 29 LYS H H 29 8.153 8.153 8.226 -0.073 25151 294 1 2 . 1 1 30 30 TRP N N 30 112.008 112.008 115.188 -3.180 25151 295 1 2 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.288 0.514 25151 296 1 2 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.836 0.492 25151 297 1 2 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.282 0.836 25151 298 1 2 . 1 1 30 30 TRP H H 30 6.910 6.910 8.064 -1.154 25151 299 1 2 . 1 1 31 31 CYS N N 31 120.387 120.387 122.491 -2.104 25151 300 1 2 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.007 -0.024 25151 301 1 2 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.545 -3.766 25151 302 1 2 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.942 14.616 25151 303 1 2 . 1 1 31 31 CYS H H 31 8.581 8.581 8.763 -0.182 25151 304 1 2 . 1 1 32 32 LYS N N 32 122.824 122.824 124.529 -1.705 25151 305 1 2 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.828 0.652 25151 306 1 2 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.219 0.557 25151 307 1 2 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.716 0.425 25151 308 1 2 . 1 1 32 32 LYS H H 32 9.326 9.326 8.398 0.928 25151 309 1 2 . 1 1 33 33 GLY N N 33 106.828 106.828 106.044 0.784 25151 310 1 2 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.958 1.896 25151 311 1 2 . 1 1 33 33 GLY H H 33 8.424 8.424 8.195 0.229 25151 312 1 2 . 1 1 34 34 LYS N N 34 122.367 122.367 125.082 -2.715 25151 313 1 2 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.205 -0.120 25151 314 1 2 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.664 1.147 25151 315 1 2 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.702 0.769 25151 316 1 2 . 1 1 34 34 LYS H H 34 8.123 8.123 8.356 -0.233 25151 317 1 3 . 1 1 2 2 ASN N N 2 118.762 118.762 119.704 -0.942 25151 318 1 3 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.923 -0.104 25151 319 1 3 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.650 0.560 25151 320 1 3 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.372 -1.277 25151 321 1 3 . 1 1 2 2 ASN H H 2 8.792 8.792 8.239 0.553 25151 322 1 3 . 1 1 3 3 ASP N N 3 120.996 120.996 121.978 -0.982 25151 323 1 3 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.943 -0.293 25151 324 1 3 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.723 0.372 25151 325 1 3 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.664 -0.773 25151 326 1 3 . 1 1 3 3 ASP H H 3 8.549 8.549 8.567 -0.018 25151 327 1 3 . 1 1 4 4 CYS N N 4 115.969 115.969 116.356 -0.387 25151 328 1 3 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.207 -0.326 25151 329 1 3 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.599 -2.165 25151 330 1 3 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.211 13.224 25151 331 1 3 . 1 1 4 4 CYS H H 4 8.054 8.054 8.251 -0.197 25151 332 1 3 . 1 1 5 5 LEU N N 5 121.566 121.566 120.378 1.188 25151 333 1 3 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.730 -0.299 25151 334 1 3 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.517 1.014 25151 335 1 3 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.889 -1.608 25151 336 1 3 . 1 1 5 5 LEU H H 5 8.540 8.540 8.333 0.207 25151 337 1 3 . 1 1 6 6 GLY N N 6 108.453 108.453 108.229 0.224 25151 338 1 3 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.389 -1.108 25151 339 1 3 . 1 1 6 6 GLY H H 6 8.235 8.235 8.254 -0.019 25151 340 1 3 . 1 1 7 7 PHE N N 7 118.965 118.965 120.075 -1.110 25151 341 1 3 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.243 -0.835 25151 342 1 3 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.676 2.930 25151 343 1 3 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.860 -1.329 25151 344 1 3 . 1 1 7 7 PHE H H 7 8.202 8.202 8.197 0.005 25151 345 1 3 . 1 1 8 8 TRP N N 8 120.031 120.031 119.194 0.837 25151 346 1 3 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.809 0.030 25151 347 1 3 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.566 0.481 25151 348 1 3 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.455 0.345 25151 349 1 3 . 1 1 8 8 TRP H H 8 9.067 9.067 8.104 0.963 25151 350 1 3 . 1 1 9 9 SER N N 9 117.187 117.187 115.300 1.887 25151 351 1 3 . 1 1 9 9 SER HA H 9 4.445 4.445 4.715 -0.270 25151 352 1 3 . 1 1 9 9 SER CA C 9 59.703 59.703 57.084 2.619 25151 353 1 3 . 1 1 9 9 SER CB C 9 64.804 64.804 64.270 0.534 25151 354 1 3 . 1 1 9 9 SER H H 9 8.165 8.165 7.617 0.548 25151 355 1 3 . 1 1 10 10 ALA N N 10 127.547 127.547 129.424 -1.877 25151 356 1 3 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.480 0.434 25151 357 1 3 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.846 0.276 25151 358 1 3 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.116 -0.221 25151 359 1 3 . 1 1 10 10 ALA H H 10 8.713 8.713 8.792 -0.079 25151 360 1 3 . 1 1 11 11 CYS N N 11 116.934 116.934 117.813 -0.879 25151 361 1 3 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.638 0.161 25151 362 1 3 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.727 -2.663 25151 363 1 3 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.535 15.237 25151 364 1 3 . 1 1 11 11 CYS H H 11 8.200 8.200 8.275 -0.075 25151 365 1 3 . 1 1 12 12 ASN N N 12 119.371 119.371 119.319 0.052 25151 366 1 3 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.171 -0.046 25151 367 1 3 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.123 -1.686 25151 368 1 3 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.939 -0.705 25151 369 1 3 . 1 1 12 12 ASN H H 12 9.125 9.125 8.428 0.697 25151 370 1 3 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.463 -0.486 25151 371 1 3 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.165 -2.837 25151 372 1 3 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.408 -0.377 25151 373 1 3 . 1 1 14 14 LYS N N 14 113.430 113.430 117.329 -3.899 25151 374 1 3 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.396 -0.168 25151 375 1 3 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.678 -0.313 25151 376 1 3 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.705 -0.438 25151 377 1 3 . 1 1 14 14 LYS H H 14 7.648 7.648 8.187 -0.539 25151 378 1 3 . 1 1 15 15 ASN N N 15 119.066 119.066 117.961 1.105 25151 379 1 3 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.785 -0.143 25151 380 1 3 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.544 0.085 25151 381 1 3 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.155 -1.264 25151 382 1 3 . 1 1 15 15 ASN H H 15 7.562 7.562 7.783 -0.221 25151 383 1 3 . 1 1 16 16 ASP N N 16 124.551 124.551 123.810 0.741 25151 384 1 3 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.579 -0.444 25151 385 1 3 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.720 1.182 25151 386 1 3 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.539 1.391 25151 387 1 3 . 1 1 16 16 ASP H H 16 8.618 8.618 8.388 0.230 25151 388 1 3 . 1 1 17 17 LYS N N 17 127.750 127.750 124.569 3.181 25151 389 1 3 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.569 0.100 25151 390 1 3 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.020 -0.926 25151 391 1 3 . 1 1 17 17 LYS H H 17 7.913 7.913 8.472 -0.559 25151 392 1 3 . 1 1 18 18 CYS N N 18 122.012 122.012 117.313 4.699 25151 393 1 3 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.296 0.683 25151 394 1 3 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.139 -3.256 25151 395 1 3 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.314 11.748 25151 396 1 3 . 1 1 18 18 CYS H H 18 9.343 9.343 7.517 1.826 25151 397 1 3 . 1 1 19 19 CYS N N 19 120.742 120.742 119.963 0.779 25151 398 1 3 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.534 -0.093 25151 399 1 3 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.817 -3.052 25151 400 1 3 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.989 10.652 25151 401 1 3 . 1 1 19 19 CYS H H 19 9.347 9.347 8.414 0.933 25151 402 1 3 . 1 1 20 20 ALA N N 20 119.473 119.473 123.959 -4.486 25151 403 1 3 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.950 0.166 25151 404 1 3 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.281 1.246 25151 405 1 3 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.915 0.992 25151 406 1 3 . 1 1 20 20 ALA H H 20 8.087 8.087 8.577 -0.490 25151 407 1 3 . 1 1 21 21 ASN N N 21 112.414 112.414 111.492 0.922 25151 408 1 3 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.307 0.025 25151 409 1 3 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.465 1.769 25151 410 1 3 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.666 0.521 25151 411 1 3 . 1 1 21 21 ASN H H 21 8.660 8.660 8.470 0.190 25151 412 1 3 . 1 1 22 22 LEU N N 22 121.250 121.250 118.078 3.172 25151 413 1 3 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.910 1.128 25151 414 1 3 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.445 -2.367 25151 415 1 3 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.565 2.553 25151 416 1 3 . 1 1 22 22 LEU H H 22 8.407 8.407 7.748 0.659 25151 417 1 3 . 1 1 23 23 VAL N N 23 116.883 116.883 117.243 -0.360 25151 418 1 3 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.319 0.127 25151 419 1 3 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.145 -0.330 25151 420 1 3 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.561 -0.014 25151 421 1 3 . 1 1 23 23 VAL H H 23 9.184 9.184 8.103 1.081 25151 422 1 3 . 1 1 24 24 CYS N N 24 126.988 126.988 128.674 -1.686 25151 423 1 3 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.155 -0.586 25151 424 1 3 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.191 -1.310 25151 425 1 3 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.598 12.747 25151 426 1 3 . 1 1 24 24 CYS H H 24 9.743 9.743 8.745 0.998 25151 427 1 3 . 1 1 25 25 SER N N 25 123.484 123.484 122.765 0.719 25151 428 1 3 . 1 1 25 25 SER HA H 25 4.452 4.452 4.483 -0.031 25151 429 1 3 . 1 1 25 25 SER CA C 25 57.812 57.812 59.032 -1.220 25151 430 1 3 . 1 1 25 25 SER CB C 25 63.906 63.906 64.347 -0.441 25151 431 1 3 . 1 1 25 25 SER H H 25 8.338 8.338 8.597 -0.259 25151 432 1 3 . 1 1 26 26 SER N N 26 125.516 125.516 123.878 1.638 25151 433 1 3 . 1 1 26 26 SER HA H 26 3.868 3.868 4.306 -0.438 25151 434 1 3 . 1 1 26 26 SER CA C 26 64.609 64.609 60.350 4.258 25151 435 1 3 . 1 1 26 26 SER CB C 26 62.477 62.477 62.847 -0.370 25151 436 1 3 . 1 1 26 26 SER H H 26 8.983 8.983 9.038 -0.055 25151 437 1 3 . 1 1 27 27 LYS N N 27 119.269 119.269 119.804 -0.535 25151 438 1 3 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.270 -0.230 25151 439 1 3 . 1 1 27 27 LYS CA C 27 57.839 57.839 58.214 -0.375 25151 440 1 3 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.876 0.327 25151 441 1 3 . 1 1 27 27 LYS H H 27 7.650 7.650 7.461 0.189 25151 442 1 3 . 1 1 28 28 HIS N N 28 112.008 112.008 116.312 -4.304 25151 443 1 3 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.144 -0.022 25151 444 1 3 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.365 -1.929 25151 445 1 3 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.806 -1.533 25151 446 1 3 . 1 1 28 28 HIS H H 28 6.929 6.929 7.793 -0.864 25151 447 1 3 . 1 1 29 29 LYS N N 29 115.258 115.258 116.665 -1.407 25151 448 1 3 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.188 -0.350 25151 449 1 3 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.075 0.737 25151 450 1 3 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.864 -2.051 25151 451 1 3 . 1 1 29 29 LYS H H 29 8.153 8.153 8.226 -0.073 25151 452 1 3 . 1 1 30 30 TRP N N 30 112.008 112.008 115.193 -3.185 25151 453 1 3 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.287 0.515 25151 454 1 3 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.842 0.486 25151 455 1 3 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.295 0.823 25151 456 1 3 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 457 1 3 . 1 1 31 31 CYS N N 31 120.387 120.387 122.477 -2.090 25151 458 1 3 . 1 1 31 31 CYS HA H 31 4.983 4.983 4.974 0.009 25151 459 1 3 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.567 -3.788 25151 460 1 3 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.913 14.645 25151 461 1 3 . 1 1 31 31 CYS H H 31 8.581 8.581 8.770 -0.189 25151 462 1 3 . 1 1 32 32 LYS N N 32 122.824 122.824 124.615 -1.791 25151 463 1 3 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.853 0.627 25151 464 1 3 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.222 0.554 25151 465 1 3 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.660 0.481 25151 466 1 3 . 1 1 32 32 LYS H H 32 9.326 9.326 8.453 0.873 25151 467 1 3 . 1 1 33 33 GLY N N 33 106.828 106.828 105.846 0.982 25151 468 1 3 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.843 2.011 25151 469 1 3 . 1 1 33 33 GLY H H 33 8.424 8.424 8.219 0.205 25151 470 1 3 . 1 1 34 34 LYS N N 34 122.367 122.367 125.419 -3.052 25151 471 1 3 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.133 -0.048 25151 472 1 3 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.846 0.965 25151 473 1 3 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.648 0.823 25151 474 1 3 . 1 1 34 34 LYS H H 34 8.123 8.123 8.422 -0.299 25151 475 1 4 . 1 1 2 2 ASN N N 2 118.762 118.762 121.402 -2.640 25151 476 1 4 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.956 -0.137 25151 477 1 4 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.761 0.449 25151 478 1 4 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.229 -1.134 25151 479 1 4 . 1 1 2 2 ASN H H 2 8.792 8.792 8.312 0.480 25151 480 1 4 . 1 1 3 3 ASP N N 3 120.996 120.996 122.687 -1.691 25151 481 1 4 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.936 -0.286 25151 482 1 4 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.060 0.035 25151 483 1 4 . 1 1 3 3 ASP CB C 3 40.891 40.891 42.185 -1.294 25151 484 1 4 . 1 1 3 3 ASP H H 3 8.549 8.549 8.657 -0.108 25151 485 1 4 . 1 1 4 4 CYS N N 4 115.969 115.969 116.230 -0.261 25151 486 1 4 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.430 -0.549 25151 487 1 4 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.309 -2.875 25151 488 1 4 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.620 12.815 25151 489 1 4 . 1 1 4 4 CYS H H 4 8.054 8.054 8.356 -0.302 25151 490 1 4 . 1 1 5 5 LEU N N 5 121.566 121.566 120.394 1.172 25151 491 1 4 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.730 -0.299 25151 492 1 4 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.506 1.025 25151 493 1 4 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.862 -1.581 25151 494 1 4 . 1 1 5 5 LEU H H 5 8.540 8.540 8.335 0.205 25151 495 1 4 . 1 1 6 6 GLY N N 6 108.453 108.453 108.196 0.257 25151 496 1 4 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.372 -1.091 25151 497 1 4 . 1 1 6 6 GLY H H 6 8.235 8.235 8.248 -0.013 25151 498 1 4 . 1 1 7 7 PHE N N 7 118.965 118.965 120.067 -1.102 25151 499 1 4 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.238 -0.830 25151 500 1 4 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.682 2.924 25151 501 1 4 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.845 -1.314 25151 502 1 4 . 1 1 7 7 PHE H H 7 8.202 8.202 8.195 0.007 25151 503 1 4 . 1 1 8 8 TRP N N 8 120.031 120.031 119.459 0.572 25151 504 1 4 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.783 0.056 25151 505 1 4 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.378 0.669 25151 506 1 4 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.600 0.200 25151 507 1 4 . 1 1 8 8 TRP H H 8 9.067 9.067 8.101 0.967 25151 508 1 4 . 1 1 9 9 SER N N 9 117.187 117.187 115.445 1.742 25151 509 1 4 . 1 1 9 9 SER HA H 9 4.445 4.445 4.721 -0.276 25151 510 1 4 . 1 1 9 9 SER CA C 9 59.703 59.703 57.085 2.618 25151 511 1 4 . 1 1 9 9 SER CB C 9 64.804 64.804 64.113 0.691 25151 512 1 4 . 1 1 9 9 SER H H 9 8.165 8.165 7.576 0.589 25151 513 1 4 . 1 1 10 10 ALA N N 10 127.547 127.547 129.516 -1.969 25151 514 1 4 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.465 0.449 25151 515 1 4 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.864 0.258 25151 516 1 4 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.086 -0.191 25151 517 1 4 . 1 1 10 10 ALA H H 10 8.713 8.713 8.785 -0.072 25151 518 1 4 . 1 1 11 11 CYS N N 11 116.934 116.934 117.849 -0.915 25151 519 1 4 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.637 0.162 25151 520 1 4 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.705 -2.641 25151 521 1 4 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.550 15.222 25151 522 1 4 . 1 1 11 11 CYS H H 11 8.200 8.200 8.272 -0.072 25151 523 1 4 . 1 1 12 12 ASN N N 12 119.371 119.371 119.329 0.042 25151 524 1 4 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.170 -0.045 25151 525 1 4 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.130 -1.693 25151 526 1 4 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.920 -0.686 25151 527 1 4 . 1 1 12 12 ASN H H 12 9.125 9.125 8.429 0.696 25151 528 1 4 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.463 -0.486 25151 529 1 4 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.145 -2.817 25151 530 1 4 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.399 -0.368 25151 531 1 4 . 1 1 14 14 LYS N N 14 113.430 113.430 117.401 -3.971 25151 532 1 4 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.395 -0.167 25151 533 1 4 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.663 -0.298 25151 534 1 4 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.699 -0.433 25151 535 1 4 . 1 1 14 14 LYS H H 14 7.648 7.648 8.188 -0.540 25151 536 1 4 . 1 1 15 15 ASN N N 15 119.066 119.066 117.917 1.149 25151 537 1 4 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.792 -0.150 25151 538 1 4 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.438 0.191 25151 539 1 4 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.044 -1.153 25151 540 1 4 . 1 1 15 15 ASN H H 15 7.562 7.562 7.769 -0.207 25151 541 1 4 . 1 1 16 16 ASP N N 16 124.551 124.551 123.849 0.702 25151 542 1 4 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.569 -0.434 25151 543 1 4 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.770 1.132 25151 544 1 4 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.599 1.331 25151 545 1 4 . 1 1 16 16 ASP H H 16 8.618 8.618 8.379 0.239 25151 546 1 4 . 1 1 17 17 LYS N N 17 127.750 127.750 124.861 2.889 25151 547 1 4 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.574 0.095 25151 548 1 4 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.074 -0.980 25151 549 1 4 . 1 1 17 17 LYS H H 17 7.913 7.913 8.506 -0.593 25151 550 1 4 . 1 1 18 18 CYS N N 18 122.012 122.012 117.137 4.875 25151 551 1 4 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.294 0.685 25151 552 1 4 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.096 -3.213 25151 553 1 4 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.319 11.743 25151 554 1 4 . 1 1 18 18 CYS H H 18 9.343 9.343 7.493 1.850 25151 555 1 4 . 1 1 19 19 CYS N N 19 120.742 120.742 120.024 0.718 25151 556 1 4 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 557 1 4 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.833 -3.068 25151 558 1 4 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.964 10.677 25151 559 1 4 . 1 1 19 19 CYS H H 19 9.347 9.347 8.405 0.942 25151 560 1 4 . 1 1 20 20 ALA N N 20 119.473 119.473 123.979 -4.506 25151 561 1 4 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.951 0.165 25151 562 1 4 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.273 1.254 25151 563 1 4 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.895 1.012 25151 564 1 4 . 1 1 20 20 ALA H H 20 8.087 8.087 8.579 -0.492 25151 565 1 4 . 1 1 21 21 ASN N N 21 112.414 112.414 111.480 0.934 25151 566 1 4 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.306 0.026 25151 567 1 4 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.489 1.745 25151 568 1 4 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.730 0.458 25151 569 1 4 . 1 1 21 21 ASN H H 21 8.660 8.660 8.473 0.187 25151 570 1 4 . 1 1 22 22 LEU N N 22 121.250 121.250 118.095 3.155 25151 571 1 4 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.914 1.124 25151 572 1 4 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.448 -2.370 25151 573 1 4 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.566 2.553 25151 574 1 4 . 1 1 22 22 LEU H H 22 8.407 8.407 7.750 0.657 25151 575 1 4 . 1 1 23 23 VAL N N 23 116.883 116.883 117.309 -0.426 25151 576 1 4 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.324 0.122 25151 577 1 4 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.148 -0.333 25151 578 1 4 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.550 -0.003 25151 579 1 4 . 1 1 23 23 VAL H H 23 9.184 9.184 8.130 1.054 25151 580 1 4 . 1 1 24 24 CYS N N 24 126.988 126.988 128.678 -1.690 25151 581 1 4 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.173 -0.604 25151 582 1 4 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.247 -1.366 25151 583 1 4 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.609 12.736 25151 584 1 4 . 1 1 24 24 CYS H H 24 9.743 9.743 8.736 1.007 25151 585 1 4 . 1 1 25 25 SER N N 25 123.484 123.484 122.685 0.799 25151 586 1 4 . 1 1 25 25 SER HA H 25 4.452 4.452 4.473 -0.021 25151 587 1 4 . 1 1 25 25 SER CA C 25 57.812 57.812 59.224 -1.412 25151 588 1 4 . 1 1 25 25 SER CB C 25 63.906 63.906 64.602 -0.696 25151 589 1 4 . 1 1 25 25 SER H H 25 8.338 8.338 8.541 -0.203 25151 590 1 4 . 1 1 26 26 SER N N 26 125.516 125.516 124.817 0.699 25151 591 1 4 . 1 1 26 26 SER HA H 26 3.868 3.868 4.391 -0.523 25151 592 1 4 . 1 1 26 26 SER CA C 26 64.609 64.609 60.415 4.194 25151 593 1 4 . 1 1 26 26 SER CB C 26 62.477 62.477 63.196 -0.719 25151 594 1 4 . 1 1 26 26 SER H H 26 8.983 8.983 8.904 0.079 25151 595 1 4 . 1 1 27 27 LYS N N 27 119.269 119.269 120.697 -1.428 25151 596 1 4 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.254 -0.214 25151 597 1 4 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.665 0.174 25151 598 1 4 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.904 0.299 25151 599 1 4 . 1 1 27 27 LYS H H 27 7.650 7.650 7.553 0.097 25151 600 1 4 . 1 1 28 28 HIS N N 28 112.008 112.008 115.927 -3.919 25151 601 1 4 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.287 -0.165 25151 602 1 4 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.542 -1.106 25151 603 1 4 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.872 -1.599 25151 604 1 4 . 1 1 28 28 HIS H H 28 6.929 6.929 7.619 -0.690 25151 605 1 4 . 1 1 29 29 LYS N N 29 115.258 115.258 116.736 -1.478 25151 606 1 4 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 607 1 4 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.154 0.658 25151 608 1 4 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.999 -2.186 25151 609 1 4 . 1 1 29 29 LYS H H 29 8.153 8.153 8.239 -0.086 25151 610 1 4 . 1 1 30 30 TRP N N 30 112.008 112.008 115.182 -3.174 25151 611 1 4 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.277 0.525 25151 612 1 4 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.833 0.495 25151 613 1 4 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.262 0.856 25151 614 1 4 . 1 1 30 30 TRP H H 30 6.910 6.910 8.062 -1.152 25151 615 1 4 . 1 1 31 31 CYS N N 31 120.387 120.387 122.464 -2.077 25151 616 1 4 . 1 1 31 31 CYS HA H 31 4.983 4.983 4.969 0.014 25151 617 1 4 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.567 -3.788 25151 618 1 4 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.912 14.646 25151 619 1 4 . 1 1 31 31 CYS H H 31 8.581 8.581 8.761 -0.180 25151 620 1 4 . 1 1 32 32 LYS N N 32 122.824 122.824 124.629 -1.805 25151 621 1 4 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.871 0.609 25151 622 1 4 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.242 0.534 25151 623 1 4 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.698 0.443 25151 624 1 4 . 1 1 32 32 LYS H H 32 9.326 9.326 8.472 0.854 25151 625 1 4 . 1 1 33 33 GLY N N 33 106.828 106.828 105.917 0.911 25151 626 1 4 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.901 1.953 25151 627 1 4 . 1 1 33 33 GLY H H 33 8.424 8.424 8.233 0.191 25151 628 1 4 . 1 1 34 34 LYS N N 34 122.367 122.367 124.710 -2.343 25151 629 1 4 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.192 -0.107 25151 630 1 4 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.793 1.018 25151 631 1 4 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.751 0.720 25151 632 1 4 . 1 1 34 34 LYS H H 34 8.123 8.123 8.422 -0.299 25151 633 1 5 . 1 1 2 2 ASN N N 2 118.762 118.762 120.392 -1.630 25151 634 1 5 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.804 0.015 25151 635 1 5 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.594 -0.384 25151 636 1 5 . 1 1 2 2 ASN CB C 2 39.095 39.095 38.929 0.166 25151 637 1 5 . 1 1 2 2 ASN H H 2 8.792 8.792 8.430 0.362 25151 638 1 5 . 1 1 3 3 ASP N N 3 120.996 120.996 119.580 1.416 25151 639 1 5 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.748 -0.098 25151 640 1 5 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.199 -0.104 25151 641 1 5 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.502 -0.611 25151 642 1 5 . 1 1 3 3 ASP H H 3 8.549 8.549 8.179 0.370 25151 643 1 5 . 1 1 4 4 CYS N N 4 115.969 115.969 118.336 -2.367 25151 644 1 5 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.216 -0.335 25151 645 1 5 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.485 -3.051 25151 646 1 5 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.275 13.160 25151 647 1 5 . 1 1 4 4 CYS H H 4 8.054 8.054 8.266 -0.212 25151 648 1 5 . 1 1 5 5 LEU N N 5 121.566 121.566 120.381 1.185 25151 649 1 5 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.727 -0.296 25151 650 1 5 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.534 0.997 25151 651 1 5 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.825 -1.544 25151 652 1 5 . 1 1 5 5 LEU H H 5 8.540 8.540 8.334 0.206 25151 653 1 5 . 1 1 6 6 GLY N N 6 108.453 108.453 108.103 0.350 25151 654 1 5 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.345 -1.064 25151 655 1 5 . 1 1 6 6 GLY H H 6 8.235 8.235 8.232 0.003 25151 656 1 5 . 1 1 7 7 PHE N N 7 118.965 118.965 120.068 -1.103 25151 657 1 5 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.237 -0.829 25151 658 1 5 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.682 2.924 25151 659 1 5 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.843 -1.312 25151 660 1 5 . 1 1 7 7 PHE H H 7 8.202 8.202 8.196 0.006 25151 661 1 5 . 1 1 8 8 TRP N N 8 120.031 120.031 119.131 0.900 25151 662 1 5 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.788 0.051 25151 663 1 5 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.505 0.542 25151 664 1 5 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.479 0.321 25151 665 1 5 . 1 1 8 8 TRP H H 8 9.067 9.067 8.111 0.956 25151 666 1 5 . 1 1 9 9 SER N N 9 117.187 117.187 115.241 1.946 25151 667 1 5 . 1 1 9 9 SER HA H 9 4.445 4.445 4.707 -0.262 25151 668 1 5 . 1 1 9 9 SER CA C 9 59.703 59.703 57.313 2.390 25151 669 1 5 . 1 1 9 9 SER CB C 9 64.804 64.804 64.305 0.499 25151 670 1 5 . 1 1 9 9 SER H H 9 8.165 8.165 7.590 0.575 25151 671 1 5 . 1 1 10 10 ALA N N 10 127.547 127.547 129.463 -1.916 25151 672 1 5 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.468 0.446 25151 673 1 5 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.825 0.297 25151 674 1 5 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.070 -0.175 25151 675 1 5 . 1 1 10 10 ALA H H 10 8.713 8.713 8.774 -0.061 25151 676 1 5 . 1 1 11 11 CYS N N 11 116.934 116.934 118.004 -1.070 25151 677 1 5 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.641 0.158 25151 678 1 5 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.655 -2.591 25151 679 1 5 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.593 15.179 25151 680 1 5 . 1 1 11 11 CYS H H 11 8.200 8.200 8.265 -0.065 25151 681 1 5 . 1 1 12 12 ASN N N 12 119.371 119.371 119.313 0.058 25151 682 1 5 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.170 -0.045 25151 683 1 5 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.118 -1.681 25151 684 1 5 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.921 -0.687 25151 685 1 5 . 1 1 12 12 ASN H H 12 9.125 9.125 8.423 0.702 25151 686 1 5 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 687 1 5 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.152 -2.824 25151 688 1 5 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.457 -0.426 25151 689 1 5 . 1 1 14 14 LYS N N 14 113.430 113.430 117.089 -3.659 25151 690 1 5 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.384 -0.156 25151 691 1 5 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.556 -0.191 25151 692 1 5 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.670 -0.404 25151 693 1 5 . 1 1 14 14 LYS H H 14 7.648 7.648 8.150 -0.502 25151 694 1 5 . 1 1 15 15 ASN N N 15 119.066 119.066 117.865 1.201 25151 695 1 5 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.789 -0.147 25151 696 1 5 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.457 0.172 25151 697 1 5 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.116 -1.225 25151 698 1 5 . 1 1 15 15 ASN H H 15 7.562 7.562 7.760 -0.198 25151 699 1 5 . 1 1 16 16 ASP N N 16 124.551 124.551 123.918 0.633 25151 700 1 5 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.598 -0.463 25151 701 1 5 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.607 1.295 25151 702 1 5 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.537 1.393 25151 703 1 5 . 1 1 16 16 ASP H H 16 8.618 8.618 8.398 0.220 25151 704 1 5 . 1 1 17 17 LYS N N 17 127.750 127.750 124.460 3.290 25151 705 1 5 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.563 0.106 25151 706 1 5 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.122 -1.028 25151 707 1 5 . 1 1 17 17 LYS H H 17 7.913 7.913 8.466 -0.553 25151 708 1 5 . 1 1 18 18 CYS N N 18 122.012 122.012 117.299 4.713 25151 709 1 5 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.357 0.622 25151 710 1 5 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.080 -3.197 25151 711 1 5 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.298 11.764 25151 712 1 5 . 1 1 18 18 CYS H H 18 9.343 9.343 7.565 1.778 25151 713 1 5 . 1 1 19 19 CYS N N 19 120.742 120.742 119.813 0.929 25151 714 1 5 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.530 -0.089 25151 715 1 5 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.726 -2.961 25151 716 1 5 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.088 10.553 25151 717 1 5 . 1 1 19 19 CYS H H 19 9.347 9.347 8.384 0.963 25151 718 1 5 . 1 1 20 20 ALA N N 20 119.473 119.473 123.996 -4.523 25151 719 1 5 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.950 0.166 25151 720 1 5 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.276 1.251 25151 721 1 5 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.873 1.034 25151 722 1 5 . 1 1 20 20 ALA H H 20 8.087 8.087 8.579 -0.492 25151 723 1 5 . 1 1 21 21 ASN N N 21 112.414 112.414 111.162 1.252 25151 724 1 5 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.284 0.048 25151 725 1 5 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.516 1.718 25151 726 1 5 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.769 0.419 25151 727 1 5 . 1 1 21 21 ASN H H 21 8.660 8.660 8.464 0.196 25151 728 1 5 . 1 1 22 22 LEU N N 22 121.250 121.250 117.993 3.257 25151 729 1 5 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.906 1.132 25151 730 1 5 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.476 -2.398 25151 731 1 5 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.527 2.591 25151 732 1 5 . 1 1 22 22 LEU H H 22 8.407 8.407 7.702 0.705 25151 733 1 5 . 1 1 23 23 VAL N N 23 116.883 116.883 117.232 -0.349 25151 734 1 5 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.322 0.124 25151 735 1 5 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.154 -0.339 25151 736 1 5 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.581 -0.034 25151 737 1 5 . 1 1 23 23 VAL H H 23 9.184 9.184 8.109 1.075 25151 738 1 5 . 1 1 24 24 CYS N N 24 126.988 126.988 128.604 -1.616 25151 739 1 5 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.179 -0.610 25151 740 1 5 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.223 -1.342 25151 741 1 5 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.623 12.722 25151 742 1 5 . 1 1 24 24 CYS H H 24 9.743 9.743 8.723 1.020 25151 743 1 5 . 1 1 25 25 SER N N 25 123.484 123.484 122.691 0.793 25151 744 1 5 . 1 1 25 25 SER HA H 25 4.452 4.452 4.488 -0.036 25151 745 1 5 . 1 1 25 25 SER CA C 25 57.812 57.812 59.234 -1.422 25151 746 1 5 . 1 1 25 25 SER CB C 25 63.906 63.906 64.358 -0.452 25151 747 1 5 . 1 1 25 25 SER H H 25 8.338 8.338 8.603 -0.265 25151 748 1 5 . 1 1 26 26 SER N N 26 125.516 125.516 124.407 1.109 25151 749 1 5 . 1 1 26 26 SER HA H 26 3.868 3.868 4.204 -0.336 25151 750 1 5 . 1 1 26 26 SER CA C 26 64.609 64.609 60.876 3.733 25151 751 1 5 . 1 1 26 26 SER CB C 26 62.477 62.477 62.965 -0.488 25151 752 1 5 . 1 1 26 26 SER H H 26 8.983 8.983 9.031 -0.048 25151 753 1 5 . 1 1 27 27 LYS N N 27 119.269 119.269 120.884 -1.615 25151 754 1 5 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.158 -0.118 25151 755 1 5 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.877 -0.038 25151 756 1 5 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.511 0.692 25151 757 1 5 . 1 1 27 27 LYS H H 27 7.650 7.650 7.400 0.250 25151 758 1 5 . 1 1 28 28 HIS N N 28 112.008 112.008 116.009 -4.001 25151 759 1 5 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.247 -0.125 25151 760 1 5 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.905 -1.469 25151 761 1 5 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.956 -1.683 25151 762 1 5 . 1 1 28 28 HIS H H 28 6.929 6.929 7.746 -0.817 25151 763 1 5 . 1 1 29 29 LYS N N 29 115.258 115.258 116.692 -1.434 25151 764 1 5 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 765 1 5 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.146 0.666 25151 766 1 5 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.994 -2.181 25151 767 1 5 . 1 1 29 29 LYS H H 29 8.153 8.153 8.235 -0.082 25151 768 1 5 . 1 1 30 30 TRP N N 30 112.008 112.008 115.178 -3.170 25151 769 1 5 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.280 0.522 25151 770 1 5 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.831 0.497 25151 771 1 5 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.271 0.847 25151 772 1 5 . 1 1 30 30 TRP H H 30 6.910 6.910 8.061 -1.151 25151 773 1 5 . 1 1 31 31 CYS N N 31 120.387 120.387 122.472 -2.085 25151 774 1 5 . 1 1 31 31 CYS HA H 31 4.983 4.983 4.978 0.005 25151 775 1 5 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.562 -3.783 25151 776 1 5 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.915 14.643 25151 777 1 5 . 1 1 31 31 CYS H H 31 8.581 8.581 8.757 -0.176 25151 778 1 5 . 1 1 32 32 LYS N N 32 122.824 122.824 124.607 -1.783 25151 779 1 5 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.865 0.615 25151 780 1 5 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.240 0.536 25151 781 1 5 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.695 0.446 25151 782 1 5 . 1 1 32 32 LYS H H 32 9.326 9.326 8.454 0.872 25151 783 1 5 . 1 1 33 33 GLY N N 33 106.828 106.828 105.858 0.970 25151 784 1 5 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.766 2.088 25151 785 1 5 . 1 1 33 33 GLY H H 33 8.424 8.424 8.250 0.174 25151 786 1 5 . 1 1 34 34 LYS N N 34 122.367 122.367 125.097 -2.730 25151 787 1 5 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.080 0.005 25151 788 1 5 . 1 1 34 34 LYS CA C 34 57.811 57.811 57.109 0.702 25151 789 1 5 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.249 1.222 25151 790 1 5 . 1 1 34 34 LYS H H 34 8.123 8.123 8.389 -0.266 25151 791 1 6 . 1 1 2 2 ASN N N 2 118.762 118.762 120.145 -1.383 25151 792 1 6 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.995 -0.176 25151 793 1 6 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.099 0.111 25151 794 1 6 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.586 -0.491 25151 795 1 6 . 1 1 2 2 ASN H H 2 8.792 8.792 8.259 0.533 25151 796 1 6 . 1 1 3 3 ASP N N 3 120.996 120.996 120.676 0.320 25151 797 1 6 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.766 -0.116 25151 798 1 6 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.248 -0.153 25151 799 1 6 . 1 1 3 3 ASP CB C 3 40.891 40.891 40.997 -0.106 25151 800 1 6 . 1 1 3 3 ASP H H 3 8.549 8.549 8.299 0.250 25151 801 1 6 . 1 1 4 4 CYS N N 4 115.969 115.969 118.072 -2.103 25151 802 1 6 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.199 -0.318 25151 803 1 6 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.586 -3.152 25151 804 1 6 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.170 13.265 25151 805 1 6 . 1 1 4 4 CYS H H 4 8.054 8.054 8.200 -0.146 25151 806 1 6 . 1 1 5 5 LEU N N 5 121.566 121.566 120.361 1.205 25151 807 1 6 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.727 -0.296 25151 808 1 6 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.521 1.010 25151 809 1 6 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.846 -1.565 25151 810 1 6 . 1 1 5 5 LEU H H 5 8.540 8.540 8.347 0.193 25151 811 1 6 . 1 1 6 6 GLY N N 6 108.453 108.453 107.828 0.625 25151 812 1 6 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.072 -0.791 25151 813 1 6 . 1 1 6 6 GLY H H 6 8.235 8.235 8.192 0.043 25151 814 1 6 . 1 1 7 7 PHE N N 7 118.965 118.965 120.014 -1.049 25151 815 1 6 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.175 -0.767 25151 816 1 6 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.995 2.611 25151 817 1 6 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.576 -1.045 25151 818 1 6 . 1 1 7 7 PHE H H 7 8.202 8.202 8.225 -0.023 25151 819 1 6 . 1 1 8 8 TRP N N 8 120.031 120.031 119.343 0.688 25151 820 1 6 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.796 0.043 25151 821 1 6 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.480 0.567 25151 822 1 6 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.491 0.309 25151 823 1 6 . 1 1 8 8 TRP H H 8 9.067 9.067 8.098 0.969 25151 824 1 6 . 1 1 9 9 SER N N 9 117.187 117.187 115.225 1.962 25151 825 1 6 . 1 1 9 9 SER HA H 9 4.445 4.445 4.725 -0.280 25151 826 1 6 . 1 1 9 9 SER CA C 9 59.703 59.703 57.269 2.434 25151 827 1 6 . 1 1 9 9 SER CB C 9 64.804 64.804 64.317 0.487 25151 828 1 6 . 1 1 9 9 SER H H 9 8.165 8.165 7.598 0.567 25151 829 1 6 . 1 1 10 10 ALA N N 10 127.547 127.547 129.459 -1.912 25151 830 1 6 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.468 0.446 25151 831 1 6 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.839 0.283 25151 832 1 6 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.101 -0.206 25151 833 1 6 . 1 1 10 10 ALA H H 10 8.713 8.713 8.775 -0.062 25151 834 1 6 . 1 1 11 11 CYS N N 11 116.934 116.934 117.832 -0.898 25151 835 1 6 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.635 0.164 25151 836 1 6 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.739 -2.675 25151 837 1 6 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.540 15.232 25151 838 1 6 . 1 1 11 11 CYS H H 11 8.200 8.200 8.268 -0.069 25151 839 1 6 . 1 1 12 12 ASN N N 12 119.371 119.371 119.347 0.024 25151 840 1 6 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.168 -0.043 25151 841 1 6 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.143 -1.706 25151 842 1 6 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.930 -0.696 25151 843 1 6 . 1 1 12 12 ASN H H 12 9.125 9.125 8.419 0.706 25151 844 1 6 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 845 1 6 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.152 -2.824 25151 846 1 6 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.400 -0.369 25151 847 1 6 . 1 1 14 14 LYS N N 14 113.430 113.430 117.372 -3.942 25151 848 1 6 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.401 -0.173 25151 849 1 6 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.614 -0.249 25151 850 1 6 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.721 -0.455 25151 851 1 6 . 1 1 14 14 LYS H H 14 7.648 7.648 8.177 -0.529 25151 852 1 6 . 1 1 15 15 ASN N N 15 119.066 119.066 117.887 1.179 25151 853 1 6 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.790 -0.148 25151 854 1 6 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.433 0.196 25151 855 1 6 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.057 -1.166 25151 856 1 6 . 1 1 15 15 ASN H H 15 7.562 7.562 7.763 -0.201 25151 857 1 6 . 1 1 16 16 ASP N N 16 124.551 124.551 123.995 0.556 25151 858 1 6 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.582 -0.447 25151 859 1 6 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.705 1.198 25151 860 1 6 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.617 1.313 25151 861 1 6 . 1 1 16 16 ASP H H 16 8.618 8.618 8.389 0.229 25151 862 1 6 . 1 1 17 17 LYS N N 17 127.750 127.750 124.915 2.835 25151 863 1 6 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.589 0.080 25151 864 1 6 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.939 -0.845 25151 865 1 6 . 1 1 17 17 LYS H H 17 7.913 7.913 8.499 -0.586 25151 866 1 6 . 1 1 18 18 CYS N N 18 122.012 122.012 117.214 4.798 25151 867 1 6 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.358 0.621 25151 868 1 6 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.136 -3.253 25151 869 1 6 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.388 11.674 25151 870 1 6 . 1 1 18 18 CYS H H 18 9.343 9.343 7.571 1.772 25151 871 1 6 . 1 1 19 19 CYS N N 19 120.742 120.742 119.854 0.888 25151 872 1 6 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.530 -0.089 25151 873 1 6 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.739 -2.974 25151 874 1 6 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.007 10.634 25151 875 1 6 . 1 1 19 19 CYS H H 19 9.347 9.347 8.380 0.967 25151 876 1 6 . 1 1 20 20 ALA N N 20 119.473 119.473 123.914 -4.441 25151 877 1 6 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.944 0.172 25151 878 1 6 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.261 1.266 25151 879 1 6 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.839 1.068 25151 880 1 6 . 1 1 20 20 ALA H H 20 8.087 8.087 8.584 -0.497 25151 881 1 6 . 1 1 21 21 ASN N N 21 112.414 112.414 111.334 1.080 25151 882 1 6 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.297 0.035 25151 883 1 6 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.559 1.675 25151 884 1 6 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.892 0.296 25151 885 1 6 . 1 1 21 21 ASN H H 21 8.660 8.660 8.469 0.191 25151 886 1 6 . 1 1 22 22 LEU N N 22 121.250 121.250 118.115 3.135 25151 887 1 6 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.914 1.124 25151 888 1 6 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.408 -2.330 25151 889 1 6 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.487 2.631 25151 890 1 6 . 1 1 22 22 LEU H H 22 8.407 8.407 7.760 0.647 25151 891 1 6 . 1 1 23 23 VAL N N 23 116.883 116.883 116.950 -0.067 25151 892 1 6 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.315 0.131 25151 893 1 6 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.142 -0.327 25151 894 1 6 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.687 -0.140 25151 895 1 6 . 1 1 23 23 VAL H H 23 9.184 9.184 8.009 1.175 25151 896 1 6 . 1 1 24 24 CYS N N 24 126.988 126.988 128.266 -1.278 25151 897 1 6 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.200 -0.631 25151 898 1 6 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.193 -1.312 25151 899 1 6 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.777 12.568 25151 900 1 6 . 1 1 24 24 CYS H H 24 9.743 9.743 8.672 1.071 25151 901 1 6 . 1 1 25 25 SER N N 25 123.484 123.484 122.775 0.709 25151 902 1 6 . 1 1 25 25 SER HA H 25 4.452 4.452 4.516 -0.064 25151 903 1 6 . 1 1 25 25 SER CA C 25 57.812 57.812 59.025 -1.213 25151 904 1 6 . 1 1 25 25 SER CB C 25 63.906 63.906 64.439 -0.533 25151 905 1 6 . 1 1 25 25 SER H H 25 8.338 8.338 8.602 -0.264 25151 906 1 6 . 1 1 26 26 SER N N 26 125.516 125.516 124.594 0.922 25151 907 1 6 . 1 1 26 26 SER HA H 26 3.868 3.868 4.296 -0.428 25151 908 1 6 . 1 1 26 26 SER CA C 26 64.609 64.609 60.771 3.838 25151 909 1 6 . 1 1 26 26 SER CB C 26 62.477 62.477 62.964 -0.487 25151 910 1 6 . 1 1 26 26 SER H H 26 8.983 8.983 8.948 0.035 25151 911 1 6 . 1 1 27 27 LYS N N 27 119.269 119.269 121.888 -2.619 25151 912 1 6 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.242 -0.202 25151 913 1 6 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.848 -0.009 25151 914 1 6 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.564 0.639 25151 915 1 6 . 1 1 27 27 LYS H H 27 7.650 7.650 7.540 0.110 25151 916 1 6 . 1 1 28 28 HIS N N 28 112.008 112.008 116.627 -4.619 25151 917 1 6 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.099 0.023 25151 918 1 6 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.167 -1.731 25151 919 1 6 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.831 -1.558 25151 920 1 6 . 1 1 28 28 HIS H H 28 6.929 6.929 7.788 -0.859 25151 921 1 6 . 1 1 29 29 LYS N N 29 115.258 115.258 116.659 -1.401 25151 922 1 6 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.190 -0.352 25151 923 1 6 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.047 0.765 25151 924 1 6 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.943 -2.130 25151 925 1 6 . 1 1 29 29 LYS H H 29 8.153 8.153 8.223 -0.070 25151 926 1 6 . 1 1 30 30 TRP N N 30 112.008 112.008 115.185 -3.177 25151 927 1 6 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.283 0.519 25151 928 1 6 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.837 0.491 25151 929 1 6 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.269 0.849 25151 930 1 6 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 931 1 6 . 1 1 31 31 CYS N N 31 120.387 120.387 122.486 -2.099 25151 932 1 6 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.010 -0.027 25151 933 1 6 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.544 -3.765 25151 934 1 6 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.942 14.616 25151 935 1 6 . 1 1 31 31 CYS H H 31 8.581 8.581 8.758 -0.177 25151 936 1 6 . 1 1 32 32 LYS N N 32 122.824 122.824 124.532 -1.708 25151 937 1 6 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.833 0.647 25151 938 1 6 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.224 0.552 25151 939 1 6 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.721 0.420 25151 940 1 6 . 1 1 32 32 LYS H H 32 9.326 9.326 8.404 0.922 25151 941 1 6 . 1 1 33 33 GLY N N 33 106.828 106.828 105.980 0.848 25151 942 1 6 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.914 1.940 25151 943 1 6 . 1 1 33 33 GLY H H 33 8.424 8.424 8.208 0.216 25151 944 1 6 . 1 1 34 34 LYS N N 34 122.367 122.367 124.579 -2.212 25151 945 1 6 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.201 -0.116 25151 946 1 6 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.479 1.332 25151 947 1 6 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.695 0.776 25151 948 1 6 . 1 1 34 34 LYS H H 34 8.123 8.123 8.366 -0.243 25151 949 1 7 . 1 1 2 2 ASN N N 2 118.762 118.762 120.822 -2.060 25151 950 1 7 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.852 -0.033 25151 951 1 7 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.799 0.411 25151 952 1 7 . 1 1 2 2 ASN CB C 2 39.095 39.095 38.947 0.148 25151 953 1 7 . 1 1 2 2 ASN H H 2 8.792 8.792 8.331 0.461 25151 954 1 7 . 1 1 3 3 ASP N N 3 120.996 120.996 121.252 -0.256 25151 955 1 7 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.865 -0.215 25151 956 1 7 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.038 0.057 25151 957 1 7 . 1 1 3 3 ASP CB C 3 40.891 40.891 42.564 -1.673 25151 958 1 7 . 1 1 3 3 ASP H H 3 8.549 8.549 8.618 -0.069 25151 959 1 7 . 1 1 4 4 CYS N N 4 115.969 115.969 117.217 -1.248 25151 960 1 7 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.562 -0.681 25151 961 1 7 . 1 1 4 4 CYS CA C 4 54.434 54.434 57.211 -2.777 25151 962 1 7 . 1 1 4 4 CYS CB C 4 43.435 43.435 31.164 12.271 25151 963 1 7 . 1 1 4 4 CYS H H 4 8.054 8.054 8.499 -0.445 25151 964 1 7 . 1 1 5 5 LEU N N 5 121.566 121.566 120.223 1.343 25151 965 1 7 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.729 -0.298 25151 966 1 7 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.456 1.075 25151 967 1 7 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.860 -1.579 25151 968 1 7 . 1 1 5 5 LEU H H 5 8.540 8.540 8.332 0.208 25151 969 1 7 . 1 1 6 6 GLY N N 6 108.453 108.453 107.852 0.601 25151 970 1 7 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.080 -0.799 25151 971 1 7 . 1 1 6 6 GLY H H 6 8.235 8.235 8.199 0.036 25151 972 1 7 . 1 1 7 7 PHE N N 7 118.965 118.965 120.014 -1.049 25151 973 1 7 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.177 -0.769 25151 974 1 7 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.991 2.615 25151 975 1 7 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.578 -1.047 25151 976 1 7 . 1 1 7 7 PHE H H 7 8.202 8.202 8.221 -0.019 25151 977 1 7 . 1 1 8 8 TRP N N 8 120.031 120.031 119.549 0.482 25151 978 1 7 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.802 0.037 25151 979 1 7 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.335 0.712 25151 980 1 7 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.522 0.278 25151 981 1 7 . 1 1 8 8 TRP H H 8 9.067 9.067 8.061 1.006 25151 982 1 7 . 1 1 9 9 SER N N 9 117.187 117.187 115.382 1.805 25151 983 1 7 . 1 1 9 9 SER HA H 9 4.445 4.445 4.725 -0.280 25151 984 1 7 . 1 1 9 9 SER CA C 9 59.703 59.703 57.065 2.638 25151 985 1 7 . 1 1 9 9 SER CB C 9 64.804 64.804 64.212 0.592 25151 986 1 7 . 1 1 9 9 SER H H 9 8.165 8.165 7.564 0.601 25151 987 1 7 . 1 1 10 10 ALA N N 10 127.547 127.547 129.508 -1.961 25151 988 1 7 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.460 0.454 25151 989 1 7 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.851 0.271 25151 990 1 7 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.075 -0.180 25151 991 1 7 . 1 1 10 10 ALA H H 10 8.713 8.713 8.777 -0.064 25151 992 1 7 . 1 1 11 11 CYS N N 11 116.934 116.934 117.864 -0.930 25151 993 1 7 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.635 0.164 25151 994 1 7 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.727 -2.663 25151 995 1 7 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.549 15.223 25151 996 1 7 . 1 1 11 11 CYS H H 11 8.200 8.200 8.264 -0.064 25151 997 1 7 . 1 1 12 12 ASN N N 12 119.371 119.371 119.346 0.025 25151 998 1 7 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.168 -0.043 25151 999 1 7 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.136 -1.699 25151 1000 1 7 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.919 -0.685 25151 1001 1 7 . 1 1 12 12 ASN H H 12 9.125 9.125 8.423 0.702 25151 1002 1 7 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 1003 1 7 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.133 -2.805 25151 1004 1 7 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.394 -0.363 25151 1005 1 7 . 1 1 14 14 LYS N N 14 113.430 113.430 117.446 -4.016 25151 1006 1 7 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.398 -0.170 25151 1007 1 7 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.615 -0.250 25151 1008 1 7 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.712 -0.447 25151 1009 1 7 . 1 1 14 14 LYS H H 14 7.648 7.648 8.189 -0.541 25151 1010 1 7 . 1 1 15 15 ASN N N 15 119.066 119.066 117.839 1.227 25151 1011 1 7 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.797 -0.155 25151 1012 1 7 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.434 0.195 25151 1013 1 7 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.109 -1.218 25151 1014 1 7 . 1 1 15 15 ASN H H 15 7.562 7.562 7.754 -0.192 25151 1015 1 7 . 1 1 16 16 ASP N N 16 124.551 124.551 124.045 0.506 25151 1016 1 7 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.582 -0.447 25151 1017 1 7 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.677 1.225 25151 1018 1 7 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.624 1.306 25151 1019 1 7 . 1 1 16 16 ASP H H 16 8.618 8.618 8.395 0.223 25151 1020 1 7 . 1 1 17 17 LYS N N 17 127.750 127.750 124.836 2.914 25151 1021 1 7 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.587 0.082 25151 1022 1 7 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.997 -0.903 25151 1023 1 7 . 1 1 17 17 LYS H H 17 7.913 7.913 8.491 -0.578 25151 1024 1 7 . 1 1 18 18 CYS N N 18 122.012 122.012 117.256 4.756 25151 1025 1 7 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.359 0.620 25151 1026 1 7 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.132 -3.249 25151 1027 1 7 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.381 11.681 25151 1028 1 7 . 1 1 18 18 CYS H H 18 9.343 9.343 7.584 1.759 25151 1029 1 7 . 1 1 19 19 CYS N N 19 120.742 120.742 119.960 0.782 25151 1030 1 7 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 1031 1 7 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.851 -3.086 25151 1032 1 7 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.899 10.742 25151 1033 1 7 . 1 1 19 19 CYS H H 19 9.347 9.347 8.382 0.965 25151 1034 1 7 . 1 1 20 20 ALA N N 20 119.473 119.473 123.894 -4.421 25151 1035 1 7 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.947 0.169 25151 1036 1 7 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.272 1.255 25151 1037 1 7 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.888 1.019 25151 1038 1 7 . 1 1 20 20 ALA H H 20 8.087 8.087 8.578 -0.491 25151 1039 1 7 . 1 1 21 21 ASN N N 21 112.414 112.414 111.478 0.936 25151 1040 1 7 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.308 0.024 25151 1041 1 7 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.528 1.706 25151 1042 1 7 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.744 0.444 25151 1043 1 7 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 1044 1 7 . 1 1 22 22 LEU N N 22 121.250 121.250 118.144 3.106 25151 1045 1 7 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.934 1.104 25151 1046 1 7 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.355 -2.276 25151 1047 1 7 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.725 2.393 25151 1048 1 7 . 1 1 22 22 LEU H H 22 8.407 8.407 7.756 0.651 25151 1049 1 7 . 1 1 23 23 VAL N N 23 116.883 116.883 116.572 0.311 25151 1050 1 7 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.345 0.101 25151 1051 1 7 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.920 -0.105 25151 1052 1 7 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.444 0.103 25151 1053 1 7 . 1 1 23 23 VAL H H 23 9.184 9.184 8.038 1.146 25151 1054 1 7 . 1 1 24 24 CYS N N 24 126.988 126.988 127.826 -0.838 25151 1055 1 7 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.181 -0.612 25151 1056 1 7 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.076 -1.195 25151 1057 1 7 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.759 12.586 25151 1058 1 7 . 1 1 24 24 CYS H H 24 9.743 9.743 8.748 0.995 25151 1059 1 7 . 1 1 25 25 SER N N 25 123.484 123.484 122.758 0.726 25151 1060 1 7 . 1 1 25 25 SER HA H 25 4.452 4.452 4.530 -0.078 25151 1061 1 7 . 1 1 25 25 SER CA C 25 57.812 57.812 58.986 -1.174 25151 1062 1 7 . 1 1 25 25 SER CB C 25 63.906 63.906 64.250 -0.344 25151 1063 1 7 . 1 1 25 25 SER H H 25 8.338 8.338 8.619 -0.281 25151 1064 1 7 . 1 1 26 26 SER N N 26 125.516 125.516 124.901 0.615 25151 1065 1 7 . 1 1 26 26 SER HA H 26 3.868 3.868 4.380 -0.512 25151 1066 1 7 . 1 1 26 26 SER CA C 26 64.609 64.609 60.443 4.166 25151 1067 1 7 . 1 1 26 26 SER CB C 26 62.477 62.477 63.044 -0.567 25151 1068 1 7 . 1 1 26 26 SER H H 26 8.983 8.983 8.895 0.088 25151 1069 1 7 . 1 1 27 27 LYS N N 27 119.269 119.269 121.536 -2.267 25151 1070 1 7 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.281 -0.241 25151 1071 1 7 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.331 0.508 25151 1072 1 7 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.537 0.666 25151 1073 1 7 . 1 1 27 27 LYS H H 27 7.650 7.650 7.558 0.092 25151 1074 1 7 . 1 1 28 28 HIS N N 28 112.008 112.008 116.516 -4.508 25151 1075 1 7 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.230 -0.108 25151 1076 1 7 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.707 -1.271 25151 1077 1 7 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.879 -1.606 25151 1078 1 7 . 1 1 28 28 HIS H H 28 6.929 6.929 7.646 -0.717 25151 1079 1 7 . 1 1 29 29 LYS N N 29 115.258 115.258 116.679 -1.421 25151 1080 1 7 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.189 -0.351 25151 1081 1 7 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.010 0.802 25151 1082 1 7 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.997 -2.184 25151 1083 1 7 . 1 1 29 29 LYS H H 29 8.153 8.153 8.217 -0.064 25151 1084 1 7 . 1 1 30 30 TRP N N 30 112.008 112.008 115.181 -3.173 25151 1085 1 7 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.281 0.521 25151 1086 1 7 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.833 0.495 25151 1087 1 7 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.264 0.854 25151 1088 1 7 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 1089 1 7 . 1 1 31 31 CYS N N 31 120.387 120.387 122.482 -2.095 25151 1090 1 7 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 1091 1 7 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.539 -3.760 25151 1092 1 7 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.948 14.610 25151 1093 1 7 . 1 1 31 31 CYS H H 31 8.581 8.581 8.754 -0.173 25151 1094 1 7 . 1 1 32 32 LYS N N 32 122.824 122.824 124.525 -1.701 25151 1095 1 7 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.842 0.638 25151 1096 1 7 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.234 0.542 25151 1097 1 7 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.737 0.404 25151 1098 1 7 . 1 1 32 32 LYS H H 32 9.326 9.326 8.403 0.923 25151 1099 1 7 . 1 1 33 33 GLY N N 33 106.828 106.828 105.945 0.883 25151 1100 1 7 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.920 1.934 25151 1101 1 7 . 1 1 33 33 GLY H H 33 8.424 8.424 8.250 0.174 25151 1102 1 7 . 1 1 34 34 LYS N N 34 122.367 122.367 125.591 -3.224 25151 1103 1 7 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.205 -0.120 25151 1104 1 7 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.450 1.361 25151 1105 1 7 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.343 1.128 25151 1106 1 7 . 1 1 34 34 LYS H H 34 8.123 8.123 8.345 -0.222 25151 1107 1 8 . 1 1 2 2 ASN N N 2 118.762 118.762 120.684 -1.922 25151 1108 1 8 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.694 0.125 25151 1109 1 8 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.859 0.351 25151 1110 1 8 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.424 -0.329 25151 1111 1 8 . 1 1 2 2 ASN H H 2 8.792 8.792 8.492 0.300 25151 1112 1 8 . 1 1 3 3 ASP N N 3 120.996 120.996 121.562 -0.566 25151 1113 1 8 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.890 -0.240 25151 1114 1 8 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.244 0.851 25151 1115 1 8 . 1 1 3 3 ASP CB C 3 40.891 40.891 40.960 -0.069 25151 1116 1 8 . 1 1 3 3 ASP H H 3 8.549 8.549 8.440 0.109 25151 1117 1 8 . 1 1 4 4 CYS N N 4 115.969 115.969 116.906 -0.937 25151 1118 1 8 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.205 -0.324 25151 1119 1 8 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.269 -1.835 25151 1120 1 8 . 1 1 4 4 CYS CB C 4 43.435 43.435 29.984 13.451 25151 1121 1 8 . 1 1 4 4 CYS H H 4 8.054 8.054 8.296 -0.242 25151 1122 1 8 . 1 1 5 5 LEU N N 5 121.566 121.566 120.273 1.293 25151 1123 1 8 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.731 -0.300 25151 1124 1 8 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.465 1.066 25151 1125 1 8 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.893 -1.612 25151 1126 1 8 . 1 1 5 5 LEU H H 5 8.540 8.540 8.332 0.208 25151 1127 1 8 . 1 1 6 6 GLY N N 6 108.453 108.453 107.882 0.571 25151 1128 1 8 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.111 -0.830 25151 1129 1 8 . 1 1 6 6 GLY H H 6 8.235 8.235 8.209 0.026 25151 1130 1 8 . 1 1 7 7 PHE N N 7 118.965 118.965 120.021 -1.056 25151 1131 1 8 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.174 -0.766 25151 1132 1 8 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.988 2.618 25151 1133 1 8 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.568 -1.037 25151 1134 1 8 . 1 1 7 7 PHE H H 7 8.202 8.202 8.215 -0.013 25151 1135 1 8 . 1 1 8 8 TRP N N 8 120.031 120.031 120.082 -0.051 25151 1136 1 8 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.836 0.003 25151 1137 1 8 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.357 0.690 25151 1138 1 8 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.398 0.402 25151 1139 1 8 . 1 1 8 8 TRP H H 8 9.067 9.067 7.996 1.071 25151 1140 1 8 . 1 1 9 9 SER N N 9 117.187 117.187 115.664 1.523 25151 1141 1 8 . 1 1 9 9 SER HA H 9 4.445 4.445 4.729 -0.284 25151 1142 1 8 . 1 1 9 9 SER CA C 9 59.703 59.703 57.293 2.410 25151 1143 1 8 . 1 1 9 9 SER CB C 9 64.804 64.804 64.238 0.566 25151 1144 1 8 . 1 1 9 9 SER H H 9 8.165 8.165 7.616 0.549 25151 1145 1 8 . 1 1 10 10 ALA N N 10 127.547 127.547 129.660 -2.113 25151 1146 1 8 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.476 0.438 25151 1147 1 8 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.910 0.212 25151 1148 1 8 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.052 -0.157 25151 1149 1 8 . 1 1 10 10 ALA H H 10 8.713 8.713 8.843 -0.130 25151 1150 1 8 . 1 1 11 11 CYS N N 11 116.934 116.934 117.964 -1.030 25151 1151 1 8 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.640 0.159 25151 1152 1 8 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.706 -2.642 25151 1153 1 8 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.570 15.202 25151 1154 1 8 . 1 1 11 11 CYS H H 11 8.200 8.200 8.268 -0.068 25151 1155 1 8 . 1 1 12 12 ASN N N 12 119.371 119.371 119.314 0.057 25151 1156 1 8 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.171 -0.046 25151 1157 1 8 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.135 -1.698 25151 1158 1 8 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.962 -0.728 25151 1159 1 8 . 1 1 12 12 ASN H H 12 9.125 9.125 8.419 0.706 25151 1160 1 8 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 1161 1 8 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.192 -2.864 25151 1162 1 8 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.417 -0.387 25151 1163 1 8 . 1 1 14 14 LYS N N 14 113.430 113.430 117.543 -4.113 25151 1164 1 8 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.396 -0.168 25151 1165 1 8 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.607 -0.242 25151 1166 1 8 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.661 -0.395 25151 1167 1 8 . 1 1 14 14 LYS H H 14 7.648 7.648 8.216 -0.568 25151 1168 1 8 . 1 1 15 15 ASN N N 15 119.066 119.066 117.616 1.450 25151 1169 1 8 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.802 -0.160 25151 1170 1 8 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.596 0.033 25151 1171 1 8 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.407 -1.516 25151 1172 1 8 . 1 1 15 15 ASN H H 15 7.562 7.562 7.695 -0.133 25151 1173 1 8 . 1 1 16 16 ASP N N 16 124.551 124.551 124.230 0.321 25151 1174 1 8 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.578 -0.443 25151 1175 1 8 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.685 1.217 25151 1176 1 8 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.606 1.324 25151 1177 1 8 . 1 1 16 16 ASP H H 16 8.618 8.618 8.402 0.216 25151 1178 1 8 . 1 1 17 17 LYS N N 17 127.750 127.750 124.823 2.927 25151 1179 1 8 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.601 0.068 25151 1180 1 8 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.656 -0.562 25151 1181 1 8 . 1 1 17 17 LYS H H 17 7.913 7.913 8.490 -0.577 25151 1182 1 8 . 1 1 18 18 CYS N N 18 122.012 122.012 117.375 4.637 25151 1183 1 8 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.361 0.618 25151 1184 1 8 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.170 -3.287 25151 1185 1 8 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.439 11.623 25151 1186 1 8 . 1 1 18 18 CYS H H 18 9.343 9.343 7.596 1.747 25151 1187 1 8 . 1 1 19 19 CYS N N 19 120.742 120.742 119.882 0.860 25151 1188 1 8 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 1189 1 8 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.846 -3.081 25151 1190 1 8 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.941 10.700 25151 1191 1 8 . 1 1 19 19 CYS H H 19 9.347 9.347 8.382 0.965 25151 1192 1 8 . 1 1 20 20 ALA N N 20 119.473 119.473 123.930 -4.457 25151 1193 1 8 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.945 0.171 25151 1194 1 8 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.273 1.254 25151 1195 1 8 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.889 1.018 25151 1196 1 8 . 1 1 20 20 ALA H H 20 8.087 8.087 8.576 -0.489 25151 1197 1 8 . 1 1 21 21 ASN N N 21 112.414 112.414 111.522 0.892 25151 1198 1 8 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.309 0.023 25151 1199 1 8 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.522 1.712 25151 1200 1 8 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.766 0.422 25151 1201 1 8 . 1 1 21 21 ASN H H 21 8.660 8.660 8.465 0.195 25151 1202 1 8 . 1 1 22 22 LEU N N 22 121.250 121.250 118.099 3.151 25151 1203 1 8 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.934 1.104 25151 1204 1 8 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.285 -2.207 25151 1205 1 8 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.618 2.500 25151 1206 1 8 . 1 1 22 22 LEU H H 22 8.407 8.407 7.822 0.585 25151 1207 1 8 . 1 1 23 23 VAL N N 23 116.883 116.883 117.668 -0.785 25151 1208 1 8 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.309 0.137 25151 1209 1 8 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.903 -0.088 25151 1210 1 8 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.388 0.159 25151 1211 1 8 . 1 1 23 23 VAL H H 23 9.184 9.184 8.091 1.093 25151 1212 1 8 . 1 1 24 24 CYS N N 24 126.988 126.988 127.729 -0.741 25151 1213 1 8 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.148 -0.579 25151 1214 1 8 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.122 -1.241 25151 1215 1 8 . 1 1 24 24 CYS CB C 24 38.345 38.345 26.029 12.316 25151 1216 1 8 . 1 1 24 24 CYS H H 24 9.743 9.743 8.695 1.048 25151 1217 1 8 . 1 1 25 25 SER N N 25 123.484 123.484 122.971 0.513 25151 1218 1 8 . 1 1 25 25 SER HA H 25 4.452 4.452 4.507 -0.055 25151 1219 1 8 . 1 1 25 25 SER CA C 25 57.812 57.812 59.044 -1.232 25151 1220 1 8 . 1 1 25 25 SER CB C 25 63.906 63.906 64.406 -0.500 25151 1221 1 8 . 1 1 25 25 SER H H 25 8.338 8.338 8.598 -0.260 25151 1222 1 8 . 1 1 26 26 SER N N 26 125.516 125.516 125.434 0.082 25151 1223 1 8 . 1 1 26 26 SER HA H 26 3.868 3.868 4.383 -0.515 25151 1224 1 8 . 1 1 26 26 SER CA C 26 64.609 64.609 60.663 3.946 25151 1225 1 8 . 1 1 26 26 SER CB C 26 62.477 62.477 62.945 -0.468 25151 1226 1 8 . 1 1 26 26 SER H H 26 8.983 8.983 8.846 0.137 25151 1227 1 8 . 1 1 27 27 LYS N N 27 119.269 119.269 121.517 -2.248 25151 1228 1 8 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.307 -0.267 25151 1229 1 8 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.264 0.575 25151 1230 1 8 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.667 0.535 25151 1231 1 8 . 1 1 27 27 LYS H H 27 7.650 7.650 7.600 0.050 25151 1232 1 8 . 1 1 28 28 HIS N N 28 112.008 112.008 116.477 -4.469 25151 1233 1 8 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.250 -0.128 25151 1234 1 8 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.214 -1.778 25151 1235 1 8 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.801 -1.528 25151 1236 1 8 . 1 1 28 28 HIS H H 28 6.929 6.929 7.787 -0.858 25151 1237 1 8 . 1 1 29 29 LYS N N 29 115.258 115.258 116.647 -1.389 25151 1238 1 8 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.188 -0.350 25151 1239 1 8 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.081 0.731 25151 1240 1 8 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.861 -2.048 25151 1241 1 8 . 1 1 29 29 LYS H H 29 8.153 8.153 8.228 -0.075 25151 1242 1 8 . 1 1 30 30 TRP N N 30 112.008 112.008 115.208 -3.200 25151 1243 1 8 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.303 0.499 25151 1244 1 8 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.843 0.485 25151 1245 1 8 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.302 0.816 25151 1246 1 8 . 1 1 30 30 TRP H H 30 6.910 6.910 8.065 -1.155 25151 1247 1 8 . 1 1 31 31 CYS N N 31 120.387 120.387 122.482 -2.095 25151 1248 1 8 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 1249 1 8 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.526 -3.747 25151 1250 1 8 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.941 14.617 25151 1251 1 8 . 1 1 31 31 CYS H H 31 8.581 8.581 8.766 -0.185 25151 1252 1 8 . 1 1 32 32 LYS N N 32 122.824 122.824 124.504 -1.680 25151 1253 1 8 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.818 0.662 25151 1254 1 8 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.212 0.564 25151 1255 1 8 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.695 0.446 25151 1256 1 8 . 1 1 32 32 LYS H H 32 9.326 9.326 8.396 0.930 25151 1257 1 8 . 1 1 33 33 GLY N N 33 106.828 106.828 105.981 0.847 25151 1258 1 8 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.905 1.949 25151 1259 1 8 . 1 1 33 33 GLY H H 33 8.424 8.424 8.192 0.232 25151 1260 1 8 . 1 1 34 34 LYS N N 34 122.367 122.367 124.911 -2.544 25151 1261 1 8 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.151 -0.066 25151 1262 1 8 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.849 0.962 25151 1263 1 8 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.656 0.815 25151 1264 1 8 . 1 1 34 34 LYS H H 34 8.123 8.123 8.402 -0.279 25151 1265 1 9 . 1 1 2 2 ASN N N 2 118.762 118.762 119.138 -0.376 25151 1266 1 9 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.858 -0.039 25151 1267 1 9 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.477 0.733 25151 1268 1 9 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.340 -1.245 25151 1269 1 9 . 1 1 2 2 ASN H H 2 8.792 8.792 8.040 0.752 25151 1270 1 9 . 1 1 3 3 ASP N N 3 120.996 120.996 122.110 -1.114 25151 1271 1 9 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.988 -0.338 25151 1272 1 9 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.263 -0.168 25151 1273 1 9 . 1 1 3 3 ASP CB C 3 40.891 40.891 42.062 -1.171 25151 1274 1 9 . 1 1 3 3 ASP H H 3 8.549 8.549 8.589 -0.040 25151 1275 1 9 . 1 1 4 4 CYS N N 4 115.969 115.969 116.296 -0.327 25151 1276 1 9 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.297 -0.416 25151 1277 1 9 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.728 -2.294 25151 1278 1 9 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.456 12.979 25151 1279 1 9 . 1 1 4 4 CYS H H 4 8.054 8.054 8.364 -0.310 25151 1280 1 9 . 1 1 5 5 LEU N N 5 121.566 121.566 120.326 1.240 25151 1281 1 9 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.726 -0.295 25151 1282 1 9 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.584 0.947 25151 1283 1 9 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.836 -1.555 25151 1284 1 9 . 1 1 5 5 LEU H H 5 8.540 8.540 8.351 0.189 25151 1285 1 9 . 1 1 6 6 GLY N N 6 108.453 108.453 107.934 0.519 25151 1286 1 9 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.090 -0.810 25151 1287 1 9 . 1 1 6 6 GLY H H 6 8.235 8.235 8.214 0.021 25151 1288 1 9 . 1 1 7 7 PHE N N 7 118.965 118.965 120.013 -1.048 25151 1289 1 9 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.175 -0.767 25151 1290 1 9 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.005 2.601 25151 1291 1 9 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.563 -1.032 25151 1292 1 9 . 1 1 7 7 PHE H H 7 8.202 8.202 8.217 -0.015 25151 1293 1 9 . 1 1 8 8 TRP N N 8 120.031 120.031 120.040 -0.009 25151 1294 1 9 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.815 0.024 25151 1295 1 9 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.343 0.704 25151 1296 1 9 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.411 0.389 25151 1297 1 9 . 1 1 8 8 TRP H H 8 9.067 9.067 7.996 1.071 25151 1298 1 9 . 1 1 9 9 SER N N 9 117.187 117.187 115.693 1.494 25151 1299 1 9 . 1 1 9 9 SER HA H 9 4.445 4.445 4.705 -0.260 25151 1300 1 9 . 1 1 9 9 SER CA C 9 59.703 59.703 57.359 2.344 25151 1301 1 9 . 1 1 9 9 SER CB C 9 64.804 64.804 64.158 0.646 25151 1302 1 9 . 1 1 9 9 SER H H 9 8.165 8.165 7.613 0.552 25151 1303 1 9 . 1 1 10 10 ALA N N 10 127.547 127.547 129.752 -2.205 25151 1304 1 9 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.462 0.452 25151 1305 1 9 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.894 0.228 25151 1306 1 9 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.008 -0.113 25151 1307 1 9 . 1 1 10 10 ALA H H 10 8.713 8.713 8.835 -0.122 25151 1308 1 9 . 1 1 11 11 CYS N N 11 116.934 116.934 118.054 -1.120 25151 1309 1 9 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.647 0.152 25151 1310 1 9 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.613 -2.549 25151 1311 1 9 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.615 15.157 25151 1312 1 9 . 1 1 11 11 CYS H H 11 8.200 8.200 8.269 -0.069 25151 1313 1 9 . 1 1 12 12 ASN N N 12 119.371 119.371 119.293 0.078 25151 1314 1 9 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.164 -0.039 25151 1315 1 9 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.169 -1.732 25151 1316 1 9 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.938 -0.704 25151 1317 1 9 . 1 1 12 12 ASN H H 12 9.125 9.125 8.418 0.707 25151 1318 1 9 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.460 -0.483 25151 1319 1 9 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.118 -2.790 25151 1320 1 9 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.486 -0.455 25151 1321 1 9 . 1 1 14 14 LYS N N 14 113.430 113.430 116.959 -3.529 25151 1322 1 9 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.397 -0.169 25151 1323 1 9 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.590 -0.225 25151 1324 1 9 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.707 -0.441 25151 1325 1 9 . 1 1 14 14 LYS H H 14 7.648 7.648 8.165 -0.517 25151 1326 1 9 . 1 1 15 15 ASN N N 15 119.066 119.066 118.073 0.993 25151 1327 1 9 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.786 -0.144 25151 1328 1 9 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.537 0.092 25151 1329 1 9 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.126 -1.235 25151 1330 1 9 . 1 1 15 15 ASN H H 15 7.562 7.562 7.800 -0.238 25151 1331 1 9 . 1 1 16 16 ASP N N 16 124.551 124.551 123.736 0.815 25151 1332 1 9 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.603 -0.468 25151 1333 1 9 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.641 1.261 25151 1334 1 9 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.496 1.434 25151 1335 1 9 . 1 1 16 16 ASP H H 16 8.618 8.618 8.393 0.225 25151 1336 1 9 . 1 1 17 17 LYS N N 17 127.750 127.750 124.446 3.304 25151 1337 1 9 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.530 0.139 25151 1338 1 9 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.537 -1.443 25151 1339 1 9 . 1 1 17 17 LYS H H 17 7.913 7.913 8.451 -0.538 25151 1340 1 9 . 1 1 18 18 CYS N N 18 122.012 122.012 117.159 4.853 25151 1341 1 9 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.354 0.625 25151 1342 1 9 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.034 -3.151 25151 1343 1 9 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.094 11.968 25151 1344 1 9 . 1 1 18 18 CYS H H 18 9.343 9.343 7.493 1.850 25151 1345 1 9 . 1 1 19 19 CYS N N 19 120.742 120.742 120.210 0.532 25151 1346 1 9 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.527 -0.086 25151 1347 1 9 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.858 -3.093 25151 1348 1 9 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.806 10.835 25151 1349 1 9 . 1 1 19 19 CYS H H 19 9.347 9.347 8.423 0.924 25151 1350 1 9 . 1 1 20 20 ALA N N 20 119.473 119.473 123.848 -4.375 25151 1351 1 9 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.945 0.171 25151 1352 1 9 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.242 1.285 25151 1353 1 9 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.869 1.038 25151 1354 1 9 . 1 1 20 20 ALA H H 20 8.087 8.087 8.581 -0.494 25151 1355 1 9 . 1 1 21 21 ASN N N 21 112.414 112.414 111.412 1.002 25151 1356 1 9 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.299 0.033 25151 1357 1 9 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.555 1.679 25151 1358 1 9 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.752 0.436 25151 1359 1 9 . 1 1 21 21 ASN H H 21 8.660 8.660 8.470 0.190 25151 1360 1 9 . 1 1 22 22 LEU N N 22 121.250 121.250 118.121 3.129 25151 1361 1 9 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.942 1.096 25151 1362 1 9 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.284 -2.206 25151 1363 1 9 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.619 2.499 25151 1364 1 9 . 1 1 22 22 LEU H H 22 8.407 8.407 7.824 0.583 25151 1365 1 9 . 1 1 23 23 VAL N N 23 116.883 116.883 117.659 -0.776 25151 1366 1 9 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.312 0.134 25151 1367 1 9 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.920 -0.105 25151 1368 1 9 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.428 0.119 25151 1369 1 9 . 1 1 23 23 VAL H H 23 9.184 9.184 8.087 1.097 25151 1370 1 9 . 1 1 24 24 CYS N N 24 126.988 126.988 127.733 -0.745 25151 1371 1 9 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.147 -0.578 25151 1372 1 9 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.140 -1.259 25151 1373 1 9 . 1 1 24 24 CYS CB C 24 38.345 38.345 26.011 12.334 25151 1374 1 9 . 1 1 24 24 CYS H H 24 9.743 9.743 8.690 1.053 25151 1375 1 9 . 1 1 25 25 SER N N 25 123.484 123.484 122.848 0.636 25151 1376 1 9 . 1 1 25 25 SER HA H 25 4.452 4.452 4.480 -0.028 25151 1377 1 9 . 1 1 25 25 SER CA C 25 57.812 57.812 59.233 -1.421 25151 1378 1 9 . 1 1 25 25 SER CB C 25 63.906 63.906 64.446 -0.540 25151 1379 1 9 . 1 1 25 25 SER H H 25 8.338 8.338 8.645 -0.307 25151 1380 1 9 . 1 1 26 26 SER N N 26 125.516 125.516 124.988 0.528 25151 1381 1 9 . 1 1 26 26 SER HA H 26 3.868 3.868 4.326 -0.458 25151 1382 1 9 . 1 1 26 26 SER CA C 26 64.609 64.609 60.815 3.794 25151 1383 1 9 . 1 1 26 26 SER CB C 26 62.477 62.477 63.202 -0.725 25151 1384 1 9 . 1 1 26 26 SER H H 26 8.983 8.983 9.035 -0.052 25151 1385 1 9 . 1 1 27 27 LYS N N 27 119.269 119.269 120.450 -1.181 25151 1386 1 9 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.229 -0.189 25151 1387 1 9 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.790 0.049 25151 1388 1 9 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.818 0.385 25151 1389 1 9 . 1 1 27 27 LYS H H 27 7.650 7.650 7.547 0.103 25151 1390 1 9 . 1 1 28 28 HIS N N 28 112.008 112.008 115.805 -3.797 25151 1391 1 9 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.288 -0.166 25151 1392 1 9 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.480 -1.044 25151 1393 1 9 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.814 -1.541 25151 1394 1 9 . 1 1 28 28 HIS H H 28 6.929 6.929 7.656 -0.727 25151 1395 1 9 . 1 1 29 29 LYS N N 29 115.258 115.258 116.733 -1.475 25151 1396 1 9 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.166 -0.328 25151 1397 1 9 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.164 0.648 25151 1398 1 9 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.970 -2.157 25151 1399 1 9 . 1 1 29 29 LYS H H 29 8.153 8.153 8.243 -0.090 25151 1400 1 9 . 1 1 30 30 TRP N N 30 112.008 112.008 115.202 -3.194 25151 1401 1 9 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.287 0.515 25151 1402 1 9 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.834 0.494 25151 1403 1 9 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.266 0.852 25151 1404 1 9 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 1405 1 9 . 1 1 31 31 CYS N N 31 120.387 120.387 122.480 -2.093 25151 1406 1 9 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.016 -0.033 25151 1407 1 9 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.535 -3.756 25151 1408 1 9 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.947 14.611 25151 1409 1 9 . 1 1 31 31 CYS H H 31 8.581 8.581 8.751 -0.170 25151 1410 1 9 . 1 1 32 32 LYS N N 32 122.824 122.824 124.511 -1.687 25151 1411 1 9 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.839 0.641 25151 1412 1 9 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.238 0.538 25151 1413 1 9 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.740 0.401 25151 1414 1 9 . 1 1 32 32 LYS H H 32 9.326 9.326 8.399 0.927 25151 1415 1 9 . 1 1 33 33 GLY N N 33 106.828 106.828 106.041 0.787 25151 1416 1 9 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.989 1.865 25151 1417 1 9 . 1 1 33 33 GLY H H 33 8.424 8.424 8.216 0.208 25151 1418 1 9 . 1 1 34 34 LYS N N 34 122.367 122.367 124.961 -2.594 25151 1419 1 9 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.226 -0.141 25151 1420 1 9 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.302 1.509 25151 1421 1 9 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.646 0.825 25151 1422 1 9 . 1 1 34 34 LYS H H 34 8.123 8.123 8.335 -0.212 25151 1423 1 10 . 1 1 2 2 ASN N N 2 118.762 118.762 118.757 0.005 25151 1424 1 10 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.919 -0.100 25151 1425 1 10 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.773 0.437 25151 1426 1 10 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.937 -0.842 25151 1427 1 10 . 1 1 2 2 ASN H H 2 8.792 8.792 8.367 0.425 25151 1428 1 10 . 1 1 3 3 ASP N N 3 120.996 120.996 122.015 -1.019 25151 1429 1 10 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.824 -0.174 25151 1430 1 10 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.739 0.356 25151 1431 1 10 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.590 -0.699 25151 1432 1 10 . 1 1 3 3 ASP H H 3 8.549 8.549 8.482 0.067 25151 1433 1 10 . 1 1 4 4 CYS N N 4 115.969 115.969 116.943 -0.974 25151 1434 1 10 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.295 -0.414 25151 1435 1 10 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.117 -1.683 25151 1436 1 10 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.394 13.041 25151 1437 1 10 . 1 1 4 4 CYS H H 4 8.054 8.054 8.307 -0.253 25151 1438 1 10 . 1 1 5 5 LEU N N 5 121.566 121.566 120.163 1.403 25151 1439 1 10 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.718 -0.287 25151 1440 1 10 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.555 0.976 25151 1441 1 10 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.924 -1.643 25151 1442 1 10 . 1 1 5 5 LEU H H 5 8.540 8.540 8.311 0.229 25151 1443 1 10 . 1 1 6 6 GLY N N 6 108.453 108.453 107.872 0.581 25151 1444 1 10 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.092 -0.811 25151 1445 1 10 . 1 1 6 6 GLY H H 6 8.235 8.235 8.204 0.031 25151 1446 1 10 . 1 1 7 7 PHE N N 7 118.965 118.965 120.013 -1.048 25151 1447 1 10 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.172 -0.764 25151 1448 1 10 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.999 2.607 25151 1449 1 10 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.564 -1.033 25151 1450 1 10 . 1 1 7 7 PHE H H 7 8.202 8.202 8.214 -0.012 25151 1451 1 10 . 1 1 8 8 TRP N N 8 120.031 120.031 120.024 0.007 25151 1452 1 10 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.820 0.019 25151 1453 1 10 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.345 0.702 25151 1454 1 10 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.397 0.403 25151 1455 1 10 . 1 1 8 8 TRP H H 8 9.067 9.067 7.976 1.091 25151 1456 1 10 . 1 1 9 9 SER N N 9 117.187 117.187 115.655 1.532 25151 1457 1 10 . 1 1 9 9 SER HA H 9 4.445 4.445 4.717 -0.272 25151 1458 1 10 . 1 1 9 9 SER CA C 9 59.703 59.703 57.319 2.384 25151 1459 1 10 . 1 1 9 9 SER CB C 9 64.804 64.804 64.233 0.571 25151 1460 1 10 . 1 1 9 9 SER H H 9 8.165 8.165 7.608 0.557 25151 1461 1 10 . 1 1 10 10 ALA N N 10 127.547 127.547 129.612 -2.065 25151 1462 1 10 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.463 0.451 25151 1463 1 10 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.907 0.215 25151 1464 1 10 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.063 -0.168 25151 1465 1 10 . 1 1 10 10 ALA H H 10 8.713 8.713 8.833 -0.120 25151 1466 1 10 . 1 1 11 11 CYS N N 11 116.934 116.934 117.919 -0.985 25151 1467 1 10 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.638 0.161 25151 1468 1 10 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.725 -2.661 25151 1469 1 10 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.552 15.220 25151 1470 1 10 . 1 1 11 11 CYS H H 11 8.200 8.200 8.263 -0.063 25151 1471 1 10 . 1 1 12 12 ASN N N 12 119.371 119.371 119.312 0.059 25151 1472 1 10 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.173 -0.048 25151 1473 1 10 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.122 -1.685 25151 1474 1 10 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.955 -0.721 25151 1475 1 10 . 1 1 12 12 ASN H H 12 9.125 9.125 8.423 0.702 25151 1476 1 10 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.467 -0.490 25151 1477 1 10 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.188 -2.860 25151 1478 1 10 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.419 -0.388 25151 1479 1 10 . 1 1 14 14 LYS N N 14 113.430 113.430 117.275 -3.845 25151 1480 1 10 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.402 -0.174 25151 1481 1 10 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.646 -0.281 25151 1482 1 10 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.710 -0.444 25151 1483 1 10 . 1 1 14 14 LYS H H 14 7.648 7.648 8.181 -0.533 25151 1484 1 10 . 1 1 15 15 ASN N N 15 119.066 119.066 117.939 1.127 25151 1485 1 10 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.781 -0.139 25151 1486 1 10 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.583 0.046 25151 1487 1 10 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.256 -1.365 25151 1488 1 10 . 1 1 15 15 ASN H H 15 7.562 7.562 7.776 -0.214 25151 1489 1 10 . 1 1 16 16 ASP N N 16 124.551 124.551 123.891 0.660 25151 1490 1 10 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.602 -0.467 25151 1491 1 10 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.638 1.264 25151 1492 1 10 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.483 1.446 25151 1493 1 10 . 1 1 16 16 ASP H H 16 8.618 8.618 8.396 0.222 25151 1494 1 10 . 1 1 17 17 LYS N N 17 127.750 127.750 124.387 3.363 25151 1495 1 10 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.555 0.114 25151 1496 1 10 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.281 -1.187 25151 1497 1 10 . 1 1 17 17 LYS H H 17 7.913 7.913 8.441 -0.528 25151 1498 1 10 . 1 1 18 18 CYS N N 18 122.012 122.012 117.279 4.733 25151 1499 1 10 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.362 0.617 25151 1500 1 10 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.084 -3.201 25151 1501 1 10 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.302 11.759 25151 1502 1 10 . 1 1 18 18 CYS H H 18 9.343 9.343 7.573 1.770 25151 1503 1 10 . 1 1 19 19 CYS N N 19 120.742 120.742 119.920 0.822 25151 1504 1 10 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.533 -0.092 25151 1505 1 10 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.838 -3.073 25151 1506 1 10 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.932 10.709 25151 1507 1 10 . 1 1 19 19 CYS H H 19 9.347 9.347 8.390 0.957 25151 1508 1 10 . 1 1 20 20 ALA N N 20 119.473 119.473 123.899 -4.426 25151 1509 1 10 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 1510 1 10 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.279 1.248 25151 1511 1 10 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.893 1.014 25151 1512 1 10 . 1 1 20 20 ALA H H 20 8.087 8.087 8.577 -0.490 25151 1513 1 10 . 1 1 21 21 ASN N N 21 112.414 112.414 111.459 0.955 25151 1514 1 10 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.308 0.024 25151 1515 1 10 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.514 1.720 25151 1516 1 10 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.715 0.473 25151 1517 1 10 . 1 1 21 21 ASN H H 21 8.660 8.660 8.464 0.196 25151 1518 1 10 . 1 1 22 22 LEU N N 22 121.250 121.250 118.153 3.097 25151 1519 1 10 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.931 1.107 25151 1520 1 10 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.350 -2.272 25151 1521 1 10 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.717 2.401 25151 1522 1 10 . 1 1 22 22 LEU H H 22 8.407 8.407 7.755 0.652 25151 1523 1 10 . 1 1 23 23 VAL N N 23 116.883 116.883 116.543 0.340 25151 1524 1 10 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.343 0.103 25151 1525 1 10 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.917 -0.102 25151 1526 1 10 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.442 0.105 25151 1527 1 10 . 1 1 23 23 VAL H H 23 9.184 9.184 8.040 1.144 25151 1528 1 10 . 1 1 24 24 CYS N N 24 126.988 126.988 127.727 -0.739 25151 1529 1 10 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.212 -0.643 25151 1530 1 10 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.085 -1.204 25151 1531 1 10 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.829 12.515 25151 1532 1 10 . 1 1 24 24 CYS H H 24 9.743 9.743 8.731 1.012 25151 1533 1 10 . 1 1 25 25 SER N N 25 123.484 123.484 122.471 1.013 25151 1534 1 10 . 1 1 25 25 SER HA H 25 4.452 4.452 4.530 -0.078 25151 1535 1 10 . 1 1 25 25 SER CA C 25 57.812 57.812 59.159 -1.347 25151 1536 1 10 . 1 1 25 25 SER CB C 25 63.906 63.906 64.375 -0.469 25151 1537 1 10 . 1 1 25 25 SER H H 25 8.338 8.338 8.591 -0.253 25151 1538 1 10 . 1 1 26 26 SER N N 26 125.516 125.516 124.716 0.800 25151 1539 1 10 . 1 1 26 26 SER HA H 26 3.868 3.868 4.316 -0.448 25151 1540 1 10 . 1 1 26 26 SER CA C 26 64.609 64.609 60.062 4.547 25151 1541 1 10 . 1 1 26 26 SER CB C 26 62.477 62.477 62.911 -0.434 25151 1542 1 10 . 1 1 26 26 SER H H 26 8.983 8.983 8.828 0.155 25151 1543 1 10 . 1 1 27 27 LYS N N 27 119.269 119.269 120.460 -1.191 25151 1544 1 10 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.367 -0.327 25151 1545 1 10 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.547 0.292 25151 1546 1 10 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.898 0.305 25151 1547 1 10 . 1 1 27 27 LYS H H 27 7.650 7.650 7.512 0.138 25151 1548 1 10 . 1 1 28 28 HIS N N 28 112.008 112.008 117.080 -5.072 25151 1549 1 10 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.113 0.009 25151 1550 1 10 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.212 -1.776 25151 1551 1 10 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.883 -1.609 25151 1552 1 10 . 1 1 28 28 HIS H H 28 6.929 6.929 7.734 -0.805 25151 1553 1 10 . 1 1 29 29 LYS N N 29 115.258 115.258 116.655 -1.397 25151 1554 1 10 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.190 -0.352 25151 1555 1 10 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.024 0.788 25151 1556 1 10 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.925 -2.112 25151 1557 1 10 . 1 1 29 29 LYS H H 29 8.153 8.153 8.216 -0.063 25151 1558 1 10 . 1 1 30 30 TRP N N 30 112.008 112.008 115.194 -3.186 25151 1559 1 10 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.294 0.508 25151 1560 1 10 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.825 0.503 25151 1561 1 10 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.278 0.840 25151 1562 1 10 . 1 1 30 30 TRP H H 30 6.910 6.910 8.062 -1.152 25151 1563 1 10 . 1 1 31 31 CYS N N 31 120.387 120.387 122.481 -2.094 25151 1564 1 10 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.015 -0.032 25151 1565 1 10 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.527 -3.748 25151 1566 1 10 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.948 14.611 25151 1567 1 10 . 1 1 31 31 CYS H H 31 8.581 8.581 8.758 -0.177 25151 1568 1 10 . 1 1 32 32 LYS N N 32 122.824 122.824 124.506 -1.682 25151 1569 1 10 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.820 0.660 25151 1570 1 10 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.217 0.559 25151 1571 1 10 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.714 0.427 25151 1572 1 10 . 1 1 32 32 LYS H H 32 9.326 9.326 8.392 0.934 25151 1573 1 10 . 1 1 33 33 GLY N N 33 106.828 106.828 105.907 0.921 25151 1574 1 10 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.848 2.006 25151 1575 1 10 . 1 1 33 33 GLY H H 33 8.424 8.424 8.223 0.201 25151 1576 1 10 . 1 1 34 34 LYS N N 34 122.367 122.367 125.421 -3.054 25151 1577 1 10 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.158 -0.073 25151 1578 1 10 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.567 1.244 25151 1579 1 10 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.273 1.198 25151 1580 1 10 . 1 1 34 34 LYS H H 34 8.123 8.123 8.349 -0.226 25151 1581 1 11 . 1 1 2 2 ASN N N 2 118.762 118.762 120.800 -2.038 25151 1582 1 11 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.875 -0.056 25151 1583 1 11 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.393 -0.183 25151 1584 1 11 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.215 -1.120 25151 1585 1 11 . 1 1 2 2 ASN H H 2 8.792 8.792 8.243 0.549 25151 1586 1 11 . 1 1 3 3 ASP N N 3 120.996 120.996 123.317 -2.321 25151 1587 1 11 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.966 -0.316 25151 1588 1 11 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.013 0.082 25151 1589 1 11 . 1 1 3 3 ASP CB C 3 40.891 40.891 42.042 -1.151 25151 1590 1 11 . 1 1 3 3 ASP H H 3 8.549 8.549 8.539 0.010 25151 1591 1 11 . 1 1 4 4 CYS N N 4 115.969 115.969 115.826 0.143 25151 1592 1 11 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.156 -0.275 25151 1593 1 11 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.988 -2.554 25151 1594 1 11 . 1 1 4 4 CYS CB C 4 43.435 43.435 29.957 13.478 25151 1595 1 11 . 1 1 4 4 CYS H H 4 8.054 8.054 8.361 -0.307 25151 1596 1 11 . 1 1 5 5 LEU N N 5 121.566 121.566 120.360 1.206 25151 1597 1 11 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.725 -0.294 25151 1598 1 11 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.545 0.986 25151 1599 1 11 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.887 -1.606 25151 1600 1 11 . 1 1 5 5 LEU H H 5 8.540 8.540 8.336 0.204 25151 1601 1 11 . 1 1 6 6 GLY N N 6 108.453 108.453 107.805 0.648 25151 1602 1 11 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.082 -0.801 25151 1603 1 11 . 1 1 6 6 GLY H H 6 8.235 8.235 8.190 0.045 25151 1604 1 11 . 1 1 7 7 PHE N N 7 118.965 118.965 120.019 -1.054 25151 1605 1 11 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.178 -0.770 25151 1606 1 11 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.983 2.623 25151 1607 1 11 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.582 -1.051 25151 1608 1 11 . 1 1 7 7 PHE H H 7 8.202 8.202 8.219 -0.017 25151 1609 1 11 . 1 1 8 8 TRP N N 8 120.031 120.031 119.372 0.659 25151 1610 1 11 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.809 0.030 25151 1611 1 11 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.463 0.584 25151 1612 1 11 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.372 0.428 25151 1613 1 11 . 1 1 8 8 TRP H H 8 9.067 9.067 8.057 1.010 25151 1614 1 11 . 1 1 9 9 SER N N 9 117.187 117.187 115.233 1.954 25151 1615 1 11 . 1 1 9 9 SER HA H 9 4.445 4.445 4.714 -0.269 25151 1616 1 11 . 1 1 9 9 SER CA C 9 59.703 59.703 57.005 2.698 25151 1617 1 11 . 1 1 9 9 SER CB C 9 64.804 64.804 64.356 0.448 25151 1618 1 11 . 1 1 9 9 SER H H 9 8.165 8.165 7.586 0.579 25151 1619 1 11 . 1 1 10 10 ALA N N 10 127.547 127.547 129.465 -1.918 25151 1620 1 11 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.468 0.446 25151 1621 1 11 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.829 0.293 25151 1622 1 11 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.062 -0.167 25151 1623 1 11 . 1 1 10 10 ALA H H 10 8.713 8.713 8.773 -0.060 25151 1624 1 11 . 1 1 11 11 CYS N N 11 116.934 116.934 117.919 -0.985 25151 1625 1 11 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.638 0.162 25151 1626 1 11 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.702 -2.638 25151 1627 1 11 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.565 15.207 25151 1628 1 11 . 1 1 11 11 CYS H H 11 8.200 8.200 8.265 -0.065 25151 1629 1 11 . 1 1 12 12 ASN N N 12 119.371 119.371 119.327 0.044 25151 1630 1 11 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.169 -0.044 25151 1631 1 11 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.139 -1.702 25151 1632 1 11 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.940 -0.706 25151 1633 1 11 . 1 1 12 12 ASN H H 12 9.125 9.125 8.422 0.703 25151 1634 1 11 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 1635 1 11 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.171 -2.843 25151 1636 1 11 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.408 -0.377 25151 1637 1 11 . 1 1 14 14 LYS N N 14 113.430 113.430 117.513 -4.083 25151 1638 1 11 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.394 -0.166 25151 1639 1 11 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.646 -0.281 25151 1640 1 11 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.676 -0.410 25151 1641 1 11 . 1 1 14 14 LYS H H 14 7.648 7.648 8.199 -0.551 25151 1642 1 11 . 1 1 15 15 ASN N N 15 119.066 119.066 117.712 1.354 25151 1643 1 11 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.800 -0.158 25151 1644 1 11 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.472 0.157 25151 1645 1 11 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.204 -1.313 25151 1646 1 11 . 1 1 15 15 ASN H H 15 7.562 7.562 7.744 -0.182 25151 1647 1 11 . 1 1 16 16 ASP N N 16 124.551 124.551 124.024 0.527 25151 1648 1 11 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.592 -0.457 25151 1649 1 11 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.606 1.296 25151 1650 1 11 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.587 1.343 25151 1651 1 11 . 1 1 16 16 ASP H H 16 8.618 8.618 8.411 0.207 25151 1652 1 11 . 1 1 17 17 LYS N N 17 127.750 127.750 124.567 3.183 25151 1653 1 11 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.570 0.099 25151 1654 1 11 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.148 -1.054 25151 1655 1 11 . 1 1 17 17 LYS H H 17 7.913 7.913 8.474 -0.561 25151 1656 1 11 . 1 1 18 18 CYS N N 18 122.012 122.012 117.261 4.751 25151 1657 1 11 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.364 0.615 25151 1658 1 11 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.071 -3.188 25151 1659 1 11 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.320 11.742 25151 1660 1 11 . 1 1 18 18 CYS H H 18 9.343 9.343 7.573 1.770 25151 1661 1 11 . 1 1 19 19 CYS N N 19 120.742 120.742 119.795 0.947 25151 1662 1 11 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 1663 1 11 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.733 -2.968 25151 1664 1 11 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.053 10.588 25151 1665 1 11 . 1 1 19 19 CYS H H 19 9.347 9.347 8.364 0.983 25151 1666 1 11 . 1 1 20 20 ALA N N 20 119.473 119.473 123.948 -4.475 25151 1667 1 11 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 1668 1 11 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.271 1.256 25151 1669 1 11 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.859 1.048 25151 1670 1 11 . 1 1 20 20 ALA H H 20 8.087 8.087 8.580 -0.493 25151 1671 1 11 . 1 1 21 21 ASN N N 21 112.414 112.414 111.511 0.903 25151 1672 1 11 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.309 0.023 25151 1673 1 11 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.540 1.694 25151 1674 1 11 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.857 0.331 25151 1675 1 11 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 1676 1 11 . 1 1 22 22 LEU N N 22 121.250 121.250 118.170 3.080 25151 1677 1 11 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.935 1.103 25151 1678 1 11 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.350 -2.272 25151 1679 1 11 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.728 2.390 25151 1680 1 11 . 1 1 22 22 LEU H H 22 8.407 8.407 7.753 0.654 25151 1681 1 11 . 1 1 23 23 VAL N N 23 116.883 116.883 116.605 0.278 25151 1682 1 11 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.346 0.100 25151 1683 1 11 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.916 -0.101 25151 1684 1 11 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.448 0.099 25151 1685 1 11 . 1 1 23 23 VAL H H 23 9.184 9.184 8.049 1.135 25151 1686 1 11 . 1 1 24 24 CYS N N 24 126.988 126.988 127.776 -0.788 25151 1687 1 11 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.195 -0.626 25151 1688 1 11 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.076 -1.195 25151 1689 1 11 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.788 12.557 25151 1690 1 11 . 1 1 24 24 CYS H H 24 9.743 9.743 8.746 0.997 25151 1691 1 11 . 1 1 25 25 SER N N 25 123.484 123.484 122.787 0.697 25151 1692 1 11 . 1 1 25 25 SER HA H 25 4.452 4.452 4.494 -0.042 25151 1693 1 11 . 1 1 25 25 SER CA C 25 57.812 57.812 59.031 -1.219 25151 1694 1 11 . 1 1 25 25 SER CB C 25 63.906 63.906 64.300 -0.394 25151 1695 1 11 . 1 1 25 25 SER H H 25 8.338 8.338 8.641 -0.303 25151 1696 1 11 . 1 1 26 26 SER N N 26 125.516 125.516 124.034 1.482 25151 1697 1 11 . 1 1 26 26 SER HA H 26 3.868 3.868 4.277 -0.409 25151 1698 1 11 . 1 1 26 26 SER CA C 26 64.609 64.609 60.305 4.304 25151 1699 1 11 . 1 1 26 26 SER CB C 26 62.477 62.477 62.755 -0.279 25151 1700 1 11 . 1 1 26 26 SER H H 26 8.983 8.983 9.020 -0.037 25151 1701 1 11 . 1 1 27 27 LYS N N 27 119.269 119.269 120.432 -1.163 25151 1702 1 11 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.183 -0.143 25151 1703 1 11 . 1 1 27 27 LYS CA C 27 57.839 57.839 58.099 -0.260 25151 1704 1 11 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.616 0.587 25151 1705 1 11 . 1 1 27 27 LYS H H 27 7.650 7.650 7.455 0.195 25151 1706 1 11 . 1 1 28 28 HIS N N 28 112.008 112.008 115.784 -3.776 25151 1707 1 11 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.195 -0.073 25151 1708 1 11 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.604 -1.168 25151 1709 1 11 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.836 -1.563 25151 1710 1 11 . 1 1 28 28 HIS H H 28 6.929 6.929 7.758 -0.829 25151 1711 1 11 . 1 1 29 29 LYS N N 29 115.258 115.258 116.726 -1.468 25151 1712 1 11 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 1713 1 11 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.174 0.638 25151 1714 1 11 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.974 -2.161 25151 1715 1 11 . 1 1 29 29 LYS H H 29 8.153 8.153 8.246 -0.093 25151 1716 1 11 . 1 1 30 30 TRP N N 30 112.008 112.008 115.193 -3.185 25151 1717 1 11 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.285 0.517 25151 1718 1 11 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.834 0.494 25151 1719 1 11 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.265 0.854 25151 1720 1 11 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 1721 1 11 . 1 1 31 31 CYS N N 31 120.387 120.387 122.475 -2.088 25151 1722 1 11 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 1723 1 11 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.529 -3.750 25151 1724 1 11 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.942 14.616 25151 1725 1 11 . 1 1 31 31 CYS H H 31 8.581 8.581 8.755 -0.174 25151 1726 1 11 . 1 1 32 32 LYS N N 32 122.824 122.824 124.517 -1.693 25151 1727 1 11 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.840 0.640 25151 1728 1 11 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.233 0.543 25151 1729 1 11 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.742 0.399 25151 1730 1 11 . 1 1 32 32 LYS H H 32 9.326 9.326 8.408 0.918 25151 1731 1 11 . 1 1 33 33 GLY N N 33 106.828 106.828 105.941 0.887 25151 1732 1 11 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.907 1.947 25151 1733 1 11 . 1 1 33 33 GLY H H 33 8.424 8.424 8.248 0.176 25151 1734 1 11 . 1 1 34 34 LYS N N 34 122.367 122.367 125.593 -3.226 25151 1735 1 11 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.190 -0.105 25151 1736 1 11 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.487 1.324 25151 1737 1 11 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.309 1.163 25151 1738 1 11 . 1 1 34 34 LYS H H 34 8.123 8.123 8.338 -0.215 25151 1739 1 12 . 1 1 2 2 ASN N N 2 118.762 118.762 118.934 -0.172 25151 1740 1 12 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.966 -0.147 25151 1741 1 12 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.974 0.235 25151 1742 1 12 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.021 -0.926 25151 1743 1 12 . 1 1 2 2 ASN H H 2 8.792 8.792 8.363 0.429 25151 1744 1 12 . 1 1 3 3 ASP N N 3 120.996 120.996 121.076 -0.080 25151 1745 1 12 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.748 -0.098 25151 1746 1 12 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.363 -0.268 25151 1747 1 12 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.270 -0.380 25151 1748 1 12 . 1 1 3 3 ASP H H 3 8.549 8.549 8.433 0.116 25151 1749 1 12 . 1 1 4 4 CYS N N 4 115.969 115.969 116.872 -0.903 25151 1750 1 12 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.235 -0.354 25151 1751 1 12 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.773 -2.339 25151 1752 1 12 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.067 13.368 25151 1753 1 12 . 1 1 4 4 CYS H H 4 8.054 8.054 8.245 -0.191 25151 1754 1 12 . 1 1 5 5 LEU N N 5 121.566 121.566 120.304 1.262 25151 1755 1 12 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.725 -0.294 25151 1756 1 12 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.543 0.988 25151 1757 1 12 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.881 -1.600 25151 1758 1 12 . 1 1 5 5 LEU H H 5 8.540 8.540 8.338 0.202 25151 1759 1 12 . 1 1 6 6 GLY N N 6 108.453 108.453 107.772 0.681 25151 1760 1 12 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.070 -0.789 25151 1761 1 12 . 1 1 6 6 GLY H H 6 8.235 8.235 8.192 0.043 25151 1762 1 12 . 1 1 7 7 PHE N N 7 118.965 118.965 120.001 -1.036 25151 1763 1 12 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.169 -0.761 25151 1764 1 12 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.006 2.600 25151 1765 1 12 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.560 -1.029 25151 1766 1 12 . 1 1 7 7 PHE H H 7 8.202 8.202 8.213 -0.011 25151 1767 1 12 . 1 1 8 8 TRP N N 8 120.031 120.031 120.278 -0.247 25151 1768 1 12 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.806 0.033 25151 1769 1 12 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.253 0.794 25151 1770 1 12 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.500 0.300 25151 1771 1 12 . 1 1 8 8 TRP H H 8 9.067 9.067 7.982 1.085 25151 1772 1 12 . 1 1 9 9 SER N N 9 117.187 117.187 115.679 1.508 25151 1773 1 12 . 1 1 9 9 SER HA H 9 4.445 4.445 4.728 -0.283 25151 1774 1 12 . 1 1 9 9 SER CA C 9 59.703 59.703 57.100 2.603 25151 1775 1 12 . 1 1 9 9 SER CB C 9 64.804 64.804 64.102 0.702 25151 1776 1 12 . 1 1 9 9 SER H H 9 8.165 8.165 7.573 0.592 25151 1777 1 12 . 1 1 10 10 ALA N N 10 127.547 127.547 130.974 -3.427 25151 1778 1 12 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.476 0.438 25151 1779 1 12 . 1 1 10 10 ALA CA C 10 53.122 53.122 53.030 0.092 25151 1780 1 12 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.113 -0.218 25151 1781 1 12 . 1 1 10 10 ALA H H 10 8.713 8.713 8.752 -0.039 25151 1782 1 12 . 1 1 11 11 CYS N N 11 116.934 116.934 120.482 -3.548 25151 1783 1 12 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.664 0.135 25151 1784 1 12 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.368 -2.304 25151 1785 1 12 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.188 15.584 25151 1786 1 12 . 1 1 11 11 CYS H H 11 8.200 8.200 8.205 -0.005 25151 1787 1 12 . 1 1 12 12 ASN N N 12 119.371 119.371 119.314 0.057 25151 1788 1 12 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.172 -0.047 25151 1789 1 12 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.129 -1.692 25151 1790 1 12 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.946 -0.712 25151 1791 1 12 . 1 1 12 12 ASN H H 12 9.125 9.125 8.425 0.700 25151 1792 1 12 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.464 -0.487 25151 1793 1 12 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.215 -2.887 25151 1794 1 12 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.426 -0.395 25151 1795 1 12 . 1 1 14 14 LYS N N 14 113.430 113.430 117.538 -4.108 25151 1796 1 12 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.385 -0.157 25151 1797 1 12 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.694 -0.329 25151 1798 1 12 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.625 -0.359 25151 1799 1 12 . 1 1 14 14 LYS H H 14 7.648 7.648 8.203 -0.555 25151 1800 1 12 . 1 1 15 15 ASN N N 15 119.066 119.066 117.644 1.422 25151 1801 1 12 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.800 -0.158 25151 1802 1 12 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.478 0.151 25151 1803 1 12 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.225 -1.335 25151 1804 1 12 . 1 1 15 15 ASN H H 15 7.562 7.562 7.702 -0.140 25151 1805 1 12 . 1 1 16 16 ASP N N 16 124.551 124.551 124.004 0.547 25151 1806 1 12 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.591 -0.456 25151 1807 1 12 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.608 1.294 25151 1808 1 12 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.581 1.349 25151 1809 1 12 . 1 1 16 16 ASP H H 16 8.618 8.618 8.407 0.211 25151 1810 1 12 . 1 1 17 17 LYS N N 17 127.750 127.750 124.537 3.213 25151 1811 1 12 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.571 0.098 25151 1812 1 12 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.105 -1.011 25151 1813 1 12 . 1 1 17 17 LYS H H 17 7.913 7.913 8.471 -0.558 25151 1814 1 12 . 1 1 18 18 CYS N N 18 122.012 122.012 117.275 4.737 25151 1815 1 12 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.366 0.613 25151 1816 1 12 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.067 -3.184 25151 1817 1 12 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.340 11.722 25151 1818 1 12 . 1 1 18 18 CYS H H 18 9.343 9.343 7.585 1.758 25151 1819 1 12 . 1 1 19 19 CYS N N 19 120.742 120.742 119.913 0.829 25151 1820 1 12 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 1821 1 12 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.850 -3.085 25151 1822 1 12 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.941 10.700 25151 1823 1 12 . 1 1 19 19 CYS H H 19 9.347 9.347 8.356 0.991 25151 1824 1 12 . 1 1 20 20 ALA N N 20 119.473 119.473 123.936 -4.463 25151 1825 1 12 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 1826 1 12 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.270 1.257 25151 1827 1 12 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.886 1.021 25151 1828 1 12 . 1 1 20 20 ALA H H 20 8.087 8.087 8.576 -0.489 25151 1829 1 12 . 1 1 21 21 ASN N N 21 112.414 112.414 111.504 0.910 25151 1830 1 12 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.310 0.022 25151 1831 1 12 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.526 1.708 25151 1832 1 12 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.780 0.408 25151 1833 1 12 . 1 1 21 21 ASN H H 21 8.660 8.660 8.466 0.194 25151 1834 1 12 . 1 1 22 22 LEU N N 22 121.250 121.250 118.038 3.212 25151 1835 1 12 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.915 1.123 25151 1836 1 12 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.388 -2.310 25151 1837 1 12 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.493 2.625 25151 1838 1 12 . 1 1 22 22 LEU H H 22 8.407 8.407 7.765 0.642 25151 1839 1 12 . 1 1 23 23 VAL N N 23 116.883 116.883 116.979 -0.096 25151 1840 1 12 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.317 0.129 25151 1841 1 12 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.129 -0.314 25151 1842 1 12 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.690 -0.143 25151 1843 1 12 . 1 1 23 23 VAL H H 23 9.184 9.184 8.027 1.157 25151 1844 1 12 . 1 1 24 24 CYS N N 24 126.988 126.988 128.212 -1.224 25151 1845 1 12 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.207 -0.638 25151 1846 1 12 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.211 -1.330 25151 1847 1 12 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.831 12.514 25151 1848 1 12 . 1 1 24 24 CYS H H 24 9.743 9.743 8.650 1.093 25151 1849 1 12 . 1 1 25 25 SER N N 25 123.484 123.484 122.548 0.936 25151 1850 1 12 . 1 1 25 25 SER HA H 25 4.452 4.452 4.514 -0.062 25151 1851 1 12 . 1 1 25 25 SER CA C 25 57.812 57.812 59.027 -1.215 25151 1852 1 12 . 1 1 25 25 SER CB C 25 63.906 63.906 64.549 -0.643 25151 1853 1 12 . 1 1 25 25 SER H H 25 8.338 8.338 8.570 -0.232 25151 1854 1 12 . 1 1 26 26 SER N N 26 125.516 125.516 124.633 0.883 25151 1855 1 12 . 1 1 26 26 SER HA H 26 3.868 3.868 4.247 -0.379 25151 1856 1 12 . 1 1 26 26 SER CA C 26 64.609 64.609 60.693 3.916 25151 1857 1 12 . 1 1 26 26 SER CB C 26 62.477 62.477 62.897 -0.419 25151 1858 1 12 . 1 1 26 26 SER H H 26 8.983 8.983 8.882 0.101 25151 1859 1 12 . 1 1 27 27 LYS N N 27 119.269 119.269 122.135 -2.866 25151 1860 1 12 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.232 -0.192 25151 1861 1 12 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.965 -0.126 25151 1862 1 12 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.473 0.730 25151 1863 1 12 . 1 1 27 27 LYS H H 27 7.650 7.650 7.485 0.165 25151 1864 1 12 . 1 1 28 28 HIS N N 28 112.008 112.008 116.179 -4.171 25151 1865 1 12 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.223 -0.101 25151 1866 1 12 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.711 -1.275 25151 1867 1 12 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.931 -1.658 25151 1868 1 12 . 1 1 28 28 HIS H H 28 6.929 6.929 7.759 -0.830 25151 1869 1 12 . 1 1 29 29 LYS N N 29 115.258 115.258 116.727 -1.469 25151 1870 1 12 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 1871 1 12 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.166 0.646 25151 1872 1 12 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.998 -2.185 25151 1873 1 12 . 1 1 29 29 LYS H H 29 8.153 8.153 8.241 -0.088 25151 1874 1 12 . 1 1 30 30 TRP N N 30 112.008 112.008 115.209 -3.201 25151 1875 1 12 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.293 0.509 25151 1876 1 12 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.832 0.496 25151 1877 1 12 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.265 0.853 25151 1878 1 12 . 1 1 30 30 TRP H H 30 6.910 6.910 8.061 -1.151 25151 1879 1 12 . 1 1 31 31 CYS N N 31 120.387 120.387 122.468 -2.081 25151 1880 1 12 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 1881 1 12 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.519 -3.740 25151 1882 1 12 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.941 14.617 25151 1883 1 12 . 1 1 31 31 CYS H H 31 8.581 8.581 8.754 -0.173 25151 1884 1 12 . 1 1 32 32 LYS N N 32 122.824 122.824 124.507 -1.683 25151 1885 1 12 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.832 0.648 25151 1886 1 12 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.227 0.549 25151 1887 1 12 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.731 0.410 25151 1888 1 12 . 1 1 32 32 LYS H H 32 9.326 9.326 8.405 0.920 25151 1889 1 12 . 1 1 33 33 GLY N N 33 106.828 106.828 106.014 0.814 25151 1890 1 12 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.884 1.970 25151 1891 1 12 . 1 1 33 33 GLY H H 33 8.424 8.424 8.210 0.214 25151 1892 1 12 . 1 1 34 34 LYS N N 34 122.367 122.367 125.195 -2.828 25151 1893 1 12 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.132 -0.047 25151 1894 1 12 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.760 1.051 25151 1895 1 12 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.657 0.814 25151 1896 1 12 . 1 1 34 34 LYS H H 34 8.123 8.123 8.365 -0.242 25151 1897 1 13 . 1 1 2 2 ASN N N 2 118.762 118.762 118.840 -0.078 25151 1898 1 13 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.811 0.008 25151 1899 1 13 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.807 0.403 25151 1900 1 13 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.635 -0.540 25151 1901 1 13 . 1 1 2 2 ASN H H 2 8.792 8.792 8.069 0.723 25151 1902 1 13 . 1 1 3 3 ASP N N 3 120.996 120.996 120.698 0.298 25151 1903 1 13 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.938 -0.288 25151 1904 1 13 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.755 0.340 25151 1905 1 13 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.352 -0.461 25151 1906 1 13 . 1 1 3 3 ASP H H 3 8.549 8.549 8.349 0.200 25151 1907 1 13 . 1 1 4 4 CYS N N 4 115.969 115.969 115.883 0.086 25151 1908 1 13 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.175 -0.294 25151 1909 1 13 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.982 -2.548 25151 1910 1 13 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.114 13.321 25151 1911 1 13 . 1 1 4 4 CYS H H 4 8.054 8.054 8.338 -0.284 25151 1912 1 13 . 1 1 5 5 LEU N N 5 121.566 121.566 120.335 1.231 25151 1913 1 13 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.728 -0.297 25151 1914 1 13 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.527 1.004 25151 1915 1 13 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.795 -1.514 25151 1916 1 13 . 1 1 5 5 LEU H H 5 8.540 8.540 8.358 0.182 25151 1917 1 13 . 1 1 6 6 GLY N N 6 108.453 108.453 107.718 0.735 25151 1918 1 13 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.035 -0.754 25151 1919 1 13 . 1 1 6 6 GLY H H 6 8.235 8.235 8.178 0.057 25151 1920 1 13 . 1 1 7 7 PHE N N 7 118.965 118.965 120.000 -1.035 25151 1921 1 13 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.165 -0.757 25151 1922 1 13 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.023 2.583 25151 1923 1 13 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.546 -1.015 25151 1924 1 13 . 1 1 7 7 PHE H H 7 8.202 8.202 8.220 -0.018 25151 1925 1 13 . 1 1 8 8 TRP N N 8 120.031 120.031 119.395 0.636 25151 1926 1 13 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.805 0.034 25151 1927 1 13 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.383 0.665 25151 1928 1 13 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.436 0.364 25151 1929 1 13 . 1 1 8 8 TRP H H 8 9.067 9.067 8.057 1.010 25151 1930 1 13 . 1 1 9 9 SER N N 9 117.187 117.187 115.249 1.938 25151 1931 1 13 . 1 1 9 9 SER HA H 9 4.445 4.445 4.735 -0.290 25151 1932 1 13 . 1 1 9 9 SER CA C 9 59.703 59.703 57.192 2.511 25151 1933 1 13 . 1 1 9 9 SER CB C 9 64.804 64.804 64.406 0.398 25151 1934 1 13 . 1 1 9 9 SER H H 9 8.165 8.165 7.566 0.599 25151 1935 1 13 . 1 1 10 10 ALA N N 10 127.547 127.547 129.448 -1.901 25151 1936 1 13 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.475 0.439 25151 1937 1 13 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.842 0.280 25151 1938 1 13 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.078 -0.183 25151 1939 1 13 . 1 1 10 10 ALA H H 10 8.713 8.713 8.775 -0.062 25151 1940 1 13 . 1 1 11 11 CYS N N 11 116.934 116.934 117.873 -0.939 25151 1941 1 13 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.636 0.163 25151 1942 1 13 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.740 -2.676 25151 1943 1 13 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.540 15.232 25151 1944 1 13 . 1 1 11 11 CYS H H 11 8.200 8.200 8.267 -0.067 25151 1945 1 13 . 1 1 12 12 ASN N N 12 119.371 119.371 119.313 0.058 25151 1946 1 13 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.173 -0.048 25151 1947 1 13 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.122 -1.685 25151 1948 1 13 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.963 -0.729 25151 1949 1 13 . 1 1 12 12 ASN H H 12 9.125 9.125 8.422 0.703 25151 1950 1 13 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 1951 1 13 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.177 -2.849 25151 1952 1 13 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.415 -0.384 25151 1953 1 13 . 1 1 14 14 LYS N N 14 113.430 113.430 117.328 -3.898 25151 1954 1 13 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.395 -0.167 25151 1955 1 13 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.652 -0.287 25151 1956 1 13 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.694 -0.428 25151 1957 1 13 . 1 1 14 14 LYS H H 14 7.648 7.648 8.184 -0.536 25151 1958 1 13 . 1 1 15 15 ASN N N 15 119.066 119.066 117.921 1.145 25151 1959 1 13 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.785 -0.143 25151 1960 1 13 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.525 0.104 25151 1961 1 13 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.143 -1.252 25151 1962 1 13 . 1 1 15 15 ASN H H 15 7.562 7.562 7.769 -0.207 25151 1963 1 13 . 1 1 16 16 ASP N N 16 124.551 124.551 123.818 0.733 25151 1964 1 13 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.601 -0.466 25151 1965 1 13 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.620 1.282 25151 1966 1 13 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.508 1.423 25151 1967 1 13 . 1 1 16 16 ASP H H 16 8.618 8.618 8.389 0.229 25151 1968 1 13 . 1 1 17 17 LYS N N 17 127.750 127.750 124.363 3.387 25151 1969 1 13 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.558 0.111 25151 1970 1 13 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.187 -1.093 25151 1971 1 13 . 1 1 17 17 LYS H H 17 7.913 7.913 8.448 -0.535 25151 1972 1 13 . 1 1 18 18 CYS N N 18 122.012 122.012 117.304 4.708 25151 1973 1 13 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.360 0.619 25151 1974 1 13 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.106 -3.223 25151 1975 1 13 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.304 11.758 25151 1976 1 13 . 1 1 18 18 CYS H H 18 9.343 9.343 7.588 1.755 25151 1977 1 13 . 1 1 19 19 CYS N N 19 120.742 120.742 119.808 0.934 25151 1978 1 13 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.529 -0.088 25151 1979 1 13 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.733 -2.968 25151 1980 1 13 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.041 10.600 25151 1981 1 13 . 1 1 19 19 CYS H H 19 9.347 9.347 8.348 0.999 25151 1982 1 13 . 1 1 20 20 ALA N N 20 119.473 119.473 123.928 -4.455 25151 1983 1 13 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.945 0.171 25151 1984 1 13 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.275 1.252 25151 1985 1 13 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.843 1.064 25151 1986 1 13 . 1 1 20 20 ALA H H 20 8.087 8.087 8.582 -0.495 25151 1987 1 13 . 1 1 21 21 ASN N N 21 112.414 112.414 111.419 0.995 25151 1988 1 13 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.305 0.027 25151 1989 1 13 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.529 1.705 25151 1990 1 13 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.848 0.340 25151 1991 1 13 . 1 1 21 21 ASN H H 21 8.660 8.660 8.465 0.195 25151 1992 1 13 . 1 1 22 22 LEU N N 22 121.250 121.250 118.102 3.148 25151 1993 1 13 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.915 1.123 25151 1994 1 13 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.378 -2.300 25151 1995 1 13 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.488 2.630 25151 1996 1 13 . 1 1 22 22 LEU H H 22 8.407 8.407 7.756 0.651 25151 1997 1 13 . 1 1 23 23 VAL N N 23 116.883 116.883 116.953 -0.070 25151 1998 1 13 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.315 0.131 25151 1999 1 13 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.141 -0.326 25151 2000 1 13 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.681 -0.134 25151 2001 1 13 . 1 1 23 23 VAL H H 23 9.184 9.184 8.013 1.171 25151 2002 1 13 . 1 1 24 24 CYS N N 24 126.988 126.988 128.281 -1.293 25151 2003 1 13 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.193 -0.624 25151 2004 1 13 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.167 -1.286 25151 2005 1 13 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.758 12.587 25151 2006 1 13 . 1 1 24 24 CYS H H 24 9.743 9.743 8.688 1.055 25151 2007 1 13 . 1 1 25 25 SER N N 25 123.484 123.484 122.762 0.722 25151 2008 1 13 . 1 1 25 25 SER HA H 25 4.452 4.452 4.516 -0.064 25151 2009 1 13 . 1 1 25 25 SER CA C 25 57.812 57.812 59.091 -1.279 25151 2010 1 13 . 1 1 25 25 SER CB C 25 63.906 63.906 64.389 -0.484 25151 2011 1 13 . 1 1 25 25 SER H H 25 8.338 8.338 8.607 -0.269 25151 2012 1 13 . 1 1 26 26 SER N N 26 125.516 125.516 124.714 0.802 25151 2013 1 13 . 1 1 26 26 SER HA H 26 3.868 3.868 4.375 -0.507 25151 2014 1 13 . 1 1 26 26 SER CA C 26 64.609 64.609 60.701 3.908 25151 2015 1 13 . 1 1 26 26 SER CB C 26 62.477 62.477 63.150 -0.673 25151 2016 1 13 . 1 1 26 26 SER H H 26 8.983 8.983 8.900 0.083 25151 2017 1 13 . 1 1 27 27 LYS N N 27 119.269 119.269 121.454 -2.185 25151 2018 1 13 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.222 -0.182 25151 2019 1 13 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.423 0.416 25151 2020 1 13 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.996 0.207 25151 2021 1 13 . 1 1 27 27 LYS H H 27 7.650 7.650 7.602 0.048 25151 2022 1 13 . 1 1 28 28 HIS N N 28 112.008 112.008 115.746 -3.738 25151 2023 1 13 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.278 -0.156 25151 2024 1 13 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.999 -1.563 25151 2025 1 13 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.919 -1.646 25151 2026 1 13 . 1 1 28 28 HIS H H 28 6.929 6.929 7.695 -0.766 25151 2027 1 13 . 1 1 29 29 LYS N N 29 115.258 115.258 116.736 -1.478 25151 2028 1 13 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 2029 1 13 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.122 0.690 25151 2030 1 13 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.052 -2.239 25151 2031 1 13 . 1 1 29 29 LYS H H 29 8.153 8.153 8.229 -0.076 25151 2032 1 13 . 1 1 30 30 TRP N N 30 112.008 112.008 115.196 -3.188 25151 2033 1 13 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.295 0.507 25151 2034 1 13 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.830 0.498 25151 2035 1 13 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.280 0.838 25151 2036 1 13 . 1 1 30 30 TRP H H 30 6.910 6.910 8.062 -1.152 25151 2037 1 13 . 1 1 31 31 CYS N N 31 120.387 120.387 122.474 -2.087 25151 2038 1 13 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.009 -0.026 25151 2039 1 13 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.523 -3.744 25151 2040 1 13 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.942 14.616 25151 2041 1 13 . 1 1 31 31 CYS H H 31 8.581 8.581 8.760 -0.179 25151 2042 1 13 . 1 1 32 32 LYS N N 32 122.824 122.824 124.506 -1.682 25151 2043 1 13 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.825 0.655 25151 2044 1 13 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.212 0.564 25151 2045 1 13 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.711 0.430 25151 2046 1 13 . 1 1 32 32 LYS H H 32 9.326 9.326 8.395 0.931 25151 2047 1 13 . 1 1 33 33 GLY N N 33 106.828 106.828 106.004 0.824 25151 2048 1 13 . 1 1 33 33 GLY CA C 33 45.854 45.854 44.011 1.843 25151 2049 1 13 . 1 1 33 33 GLY H H 33 8.424 8.424 8.205 0.219 25151 2050 1 13 . 1 1 34 34 LYS N N 34 122.367 122.367 124.941 -2.574 25151 2051 1 13 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.253 -0.168 25151 2052 1 13 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.115 1.696 25151 2053 1 13 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.682 0.789 25151 2054 1 13 . 1 1 34 34 LYS H H 34 8.123 8.123 8.334 -0.211 25151 2055 1 14 . 1 1 2 2 ASN N N 2 118.762 118.762 119.719 -0.957 25151 2056 1 14 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.665 0.154 25151 2057 1 14 . 1 1 2 2 ASN CA C 2 53.210 53.210 53.605 -0.395 25151 2058 1 14 . 1 1 2 2 ASN CB C 2 39.095 39.095 38.880 0.215 25151 2059 1 14 . 1 1 2 2 ASN H H 2 8.792 8.792 8.263 0.529 25151 2060 1 14 . 1 1 3 3 ASP N N 3 120.996 120.996 124.161 -3.165 25151 2061 1 14 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.898 -0.248 25151 2062 1 14 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.693 0.402 25151 2063 1 14 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.895 -1.004 25151 2064 1 14 . 1 1 3 3 ASP H H 3 8.549 8.549 8.582 -0.033 25151 2065 1 14 . 1 1 4 4 CYS N N 4 115.969 115.969 116.843 -0.874 25151 2066 1 14 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.553 -0.672 25151 2067 1 14 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.540 -2.106 25151 2068 1 14 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.724 12.711 25151 2069 1 14 . 1 1 4 4 CYS H H 4 8.054 8.054 8.394 -0.340 25151 2070 1 14 . 1 1 5 5 LEU N N 5 121.566 121.566 120.205 1.361 25151 2071 1 14 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.723 -0.292 25151 2072 1 14 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.511 1.020 25151 2073 1 14 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.937 -1.656 25151 2074 1 14 . 1 1 5 5 LEU H H 5 8.540 8.540 8.307 0.233 25151 2075 1 14 . 1 1 6 6 GLY N N 6 108.453 108.453 107.892 0.561 25151 2076 1 14 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.107 -0.826 25151 2077 1 14 . 1 1 6 6 GLY H H 6 8.235 8.235 8.209 0.026 25151 2078 1 14 . 1 1 7 7 PHE N N 7 118.965 118.965 120.011 -1.046 25151 2079 1 14 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.175 -0.767 25151 2080 1 14 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.987 2.619 25151 2081 1 14 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.579 -1.048 25151 2082 1 14 . 1 1 7 7 PHE H H 7 8.202 8.202 8.216 -0.014 25151 2083 1 14 . 1 1 8 8 TRP N N 8 120.031 120.031 119.751 0.280 25151 2084 1 14 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.801 0.038 25151 2085 1 14 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.296 0.751 25151 2086 1 14 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.538 0.262 25151 2087 1 14 . 1 1 8 8 TRP H H 8 9.067 9.067 8.047 1.020 25151 2088 1 14 . 1 1 9 9 SER N N 9 117.187 117.187 115.463 1.724 25151 2089 1 14 . 1 1 9 9 SER HA H 9 4.445 4.445 4.737 -0.292 25151 2090 1 14 . 1 1 9 9 SER CA C 9 59.703 59.703 56.892 2.811 25151 2091 1 14 . 1 1 9 9 SER CB C 9 64.804 64.804 64.135 0.669 25151 2092 1 14 . 1 1 9 9 SER H H 9 8.165 8.165 7.561 0.604 25151 2093 1 14 . 1 1 10 10 ALA N N 10 127.547 127.547 129.591 -2.044 25151 2094 1 14 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.475 0.439 25151 2095 1 14 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.879 0.243 25151 2096 1 14 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.055 -0.161 25151 2097 1 14 . 1 1 10 10 ALA H H 10 8.713 8.713 8.797 -0.084 25151 2098 1 14 . 1 1 11 11 CYS N N 11 116.934 116.934 117.929 -0.995 25151 2099 1 14 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.638 0.161 25151 2100 1 14 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.708 -2.644 25151 2101 1 14 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.567 15.205 25151 2102 1 14 . 1 1 11 11 CYS H H 11 8.200 8.200 8.268 -0.068 25151 2103 1 14 . 1 1 12 12 ASN N N 12 119.371 119.371 119.338 0.033 25151 2104 1 14 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.168 -0.043 25151 2105 1 14 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.138 -1.701 25151 2106 1 14 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.934 -0.700 25151 2107 1 14 . 1 1 12 12 ASN H H 12 9.125 9.125 8.421 0.704 25151 2108 1 14 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.464 -0.487 25151 2109 1 14 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.157 -2.829 25151 2110 1 14 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.406 -0.375 25151 2111 1 14 . 1 1 14 14 LYS N N 14 113.430 113.430 117.488 -4.058 25151 2112 1 14 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.391 -0.163 25151 2113 1 14 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.629 -0.264 25151 2114 1 14 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.670 -0.404 25151 2115 1 14 . 1 1 14 14 LYS H H 14 7.648 7.648 8.198 -0.550 25151 2116 1 14 . 1 1 15 15 ASN N N 15 119.066 119.066 117.756 1.310 25151 2117 1 14 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.799 -0.157 25151 2118 1 14 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.483 0.145 25151 2119 1 14 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.199 -1.308 25151 2120 1 14 . 1 1 15 15 ASN H H 15 7.562 7.562 7.741 -0.179 25151 2121 1 14 . 1 1 16 16 ASP N N 16 124.551 124.551 124.118 0.433 25151 2122 1 14 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.579 -0.444 25151 2123 1 14 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.692 1.210 25151 2124 1 14 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.634 1.296 25151 2125 1 14 . 1 1 16 16 ASP H H 16 8.618 8.618 8.393 0.225 25151 2126 1 14 . 1 1 17 17 LYS N N 17 127.750 127.750 124.882 2.868 25151 2127 1 14 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.586 0.083 25151 2128 1 14 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.020 -0.926 25151 2129 1 14 . 1 1 17 17 LYS H H 17 7.913 7.913 8.489 -0.576 25151 2130 1 14 . 1 1 18 18 CYS N N 18 122.012 122.012 117.243 4.769 25151 2131 1 14 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.358 0.621 25151 2132 1 14 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.123 -3.240 25151 2133 1 14 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.401 11.661 25151 2134 1 14 . 1 1 18 18 CYS H H 18 9.343 9.343 7.590 1.753 25151 2135 1 14 . 1 1 19 19 CYS N N 19 120.742 120.742 119.892 0.850 25151 2136 1 14 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.533 -0.092 25151 2137 1 14 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.836 -3.071 25151 2138 1 14 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.944 10.697 25151 2139 1 14 . 1 1 19 19 CYS H H 19 9.347 9.347 8.384 0.963 25151 2140 1 14 . 1 1 20 20 ALA N N 20 119.473 119.473 123.908 -4.435 25151 2141 1 14 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 2142 1 14 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.280 1.247 25151 2143 1 14 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.902 1.005 25151 2144 1 14 . 1 1 20 20 ALA H H 20 8.087 8.087 8.575 -0.488 25151 2145 1 14 . 1 1 21 21 ASN N N 21 112.414 112.414 111.496 0.918 25151 2146 1 14 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.310 0.022 25151 2147 1 14 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.508 1.726 25151 2148 1 14 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.706 0.482 25151 2149 1 14 . 1 1 21 21 ASN H H 21 8.660 8.660 8.465 0.195 25151 2150 1 14 . 1 1 22 22 LEU N N 22 121.250 121.250 118.184 3.066 25151 2151 1 14 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.910 1.128 25151 2152 1 14 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.567 -2.489 25151 2153 1 14 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.574 2.544 25151 2154 1 14 . 1 1 22 22 LEU H H 22 8.407 8.407 7.755 0.652 25151 2155 1 14 . 1 1 23 23 VAL N N 23 116.883 116.883 116.764 0.119 25151 2156 1 14 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.376 0.070 25151 2157 1 14 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.097 -0.282 25151 2158 1 14 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.844 -0.298 25151 2159 1 14 . 1 1 23 23 VAL H H 23 9.184 9.184 7.887 1.297 25151 2160 1 14 . 1 1 24 24 CYS N N 24 126.988 126.988 128.251 -1.263 25151 2161 1 14 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.198 -0.629 25151 2162 1 14 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.194 -1.313 25151 2163 1 14 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.781 12.564 25151 2164 1 14 . 1 1 24 24 CYS H H 24 9.743 9.743 8.677 1.066 25151 2165 1 14 . 1 1 25 25 SER N N 25 123.484 123.484 122.455 1.029 25151 2166 1 14 . 1 1 25 25 SER HA H 25 4.452 4.452 4.526 -0.074 25151 2167 1 14 . 1 1 25 25 SER CA C 25 57.812 57.812 59.121 -1.309 25151 2168 1 14 . 1 1 25 25 SER CB C 25 63.906 63.906 64.448 -0.542 25151 2169 1 14 . 1 1 25 25 SER H H 25 8.338 8.338 8.581 -0.243 25151 2170 1 14 . 1 1 26 26 SER N N 26 125.516 125.516 124.531 0.985 25151 2171 1 14 . 1 1 26 26 SER HA H 26 3.868 3.868 4.247 -0.379 25151 2172 1 14 . 1 1 26 26 SER CA C 26 64.609 64.609 60.409 4.200 25151 2173 1 14 . 1 1 26 26 SER CB C 26 62.477 62.477 62.859 -0.382 25151 2174 1 14 . 1 1 26 26 SER H H 26 8.983 8.983 8.882 0.101 25151 2175 1 14 . 1 1 27 27 LYS N N 27 119.269 119.269 122.026 -2.757 25151 2176 1 14 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.228 -0.188 25151 2177 1 14 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.801 0.038 25151 2178 1 14 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.426 0.777 25151 2179 1 14 . 1 1 27 27 LYS H H 27 7.650 7.650 7.522 0.128 25151 2180 1 14 . 1 1 28 28 HIS N N 28 112.008 112.008 116.359 -4.351 25151 2181 1 14 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.245 -0.123 25151 2182 1 14 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.002 -1.566 25151 2183 1 14 . 1 1 28 28 HIS CB C 28 28.273 28.273 30.186 -1.913 25151 2184 1 14 . 1 1 28 28 HIS H H 28 6.929 6.929 7.798 -0.869 25151 2185 1 14 . 1 1 29 29 LYS N N 29 115.258 115.258 116.737 -1.479 25151 2186 1 14 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 2187 1 14 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.136 0.676 25151 2188 1 14 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.049 -2.236 25151 2189 1 14 . 1 1 29 29 LYS H H 29 8.153 8.153 8.232 -0.079 25151 2190 1 14 . 1 1 30 30 TRP N N 30 112.008 112.008 115.198 -3.190 25151 2191 1 14 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.290 0.512 25151 2192 1 14 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.840 0.488 25151 2193 1 14 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.275 0.843 25151 2194 1 14 . 1 1 30 30 TRP H H 30 6.910 6.910 8.064 -1.154 25151 2195 1 14 . 1 1 31 31 CYS N N 31 120.387 120.387 122.478 -2.091 25151 2196 1 14 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.008 -0.025 25151 2197 1 14 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.537 -3.758 25151 2198 1 14 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.939 14.619 25151 2199 1 14 . 1 1 31 31 CYS H H 31 8.581 8.581 8.758 -0.177 25151 2200 1 14 . 1 1 32 32 LYS N N 32 122.824 122.824 124.508 -1.684 25151 2201 1 14 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.825 0.655 25151 2202 1 14 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.212 0.564 25151 2203 1 14 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.715 0.426 25151 2204 1 14 . 1 1 32 32 LYS H H 32 9.326 9.326 8.399 0.927 25151 2205 1 14 . 1 1 33 33 GLY N N 33 106.828 106.828 105.948 0.880 25151 2206 1 14 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.956 1.898 25151 2207 1 14 . 1 1 33 33 GLY H H 33 8.424 8.424 8.212 0.212 25151 2208 1 14 . 1 1 34 34 LYS N N 34 122.367 122.367 124.608 -2.241 25151 2209 1 14 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.259 -0.174 25151 2210 1 14 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.455 1.356 25151 2211 1 14 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.662 0.809 25151 2212 1 14 . 1 1 34 34 LYS H H 34 8.123 8.123 8.386 -0.263 25151 2213 1 15 . 1 1 2 2 ASN N N 2 118.762 118.762 119.386 -0.624 25151 2214 1 15 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.874 -0.055 25151 2215 1 15 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.583 0.627 25151 2216 1 15 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.048 -0.953 25151 2217 1 15 . 1 1 2 2 ASN H H 2 8.792 8.792 8.330 0.462 25151 2218 1 15 . 1 1 3 3 ASP N N 3 120.996 120.996 121.751 -0.755 25151 2219 1 15 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.838 -0.188 25151 2220 1 15 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.717 0.378 25151 2221 1 15 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.869 -0.978 25151 2222 1 15 . 1 1 3 3 ASP H H 3 8.549 8.549 8.426 0.123 25151 2223 1 15 . 1 1 4 4 CYS N N 4 115.969 115.969 116.602 -0.633 25151 2224 1 15 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.279 -0.398 25151 2225 1 15 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.104 -1.670 25151 2226 1 15 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.402 13.033 25151 2227 1 15 . 1 1 4 4 CYS H H 4 8.054 8.054 8.299 -0.245 25151 2228 1 15 . 1 1 5 5 LEU N N 5 121.566 121.566 120.210 1.356 25151 2229 1 15 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.726 -0.295 25151 2230 1 15 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.510 1.021 25151 2231 1 15 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.895 -1.613 25151 2232 1 15 . 1 1 5 5 LEU H H 5 8.540 8.540 8.321 0.219 25151 2233 1 15 . 1 1 6 6 GLY N N 6 108.453 108.453 107.890 0.563 25151 2234 1 15 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.099 -0.818 25151 2235 1 15 . 1 1 6 6 GLY H H 6 8.235 8.235 8.208 0.027 25151 2236 1 15 . 1 1 7 7 PHE N N 7 118.965 118.965 120.009 -1.044 25151 2237 1 15 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.178 -0.770 25151 2238 1 15 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.008 2.598 25151 2239 1 15 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.576 -1.045 25151 2240 1 15 . 1 1 7 7 PHE H H 7 8.202 8.202 8.221 -0.019 25151 2241 1 15 . 1 1 8 8 TRP N N 8 120.031 120.031 119.514 0.517 25151 2242 1 15 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.827 0.012 25151 2243 1 15 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.359 0.688 25151 2244 1 15 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.518 0.282 25151 2245 1 15 . 1 1 8 8 TRP H H 8 9.067 9.067 8.058 1.009 25151 2246 1 15 . 1 1 9 9 SER N N 9 117.187 117.187 115.361 1.826 25151 2247 1 15 . 1 1 9 9 SER HA H 9 4.445 4.445 4.743 -0.298 25151 2248 1 15 . 1 1 9 9 SER CA C 9 59.703 59.703 57.110 2.593 25151 2249 1 15 . 1 1 9 9 SER CB C 9 64.804 64.804 64.263 0.541 25151 2250 1 15 . 1 1 9 9 SER H H 9 8.165 8.165 7.573 0.592 25151 2251 1 15 . 1 1 10 10 ALA N N 10 127.547 127.547 129.564 -2.017 25151 2252 1 15 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.480 0.434 25151 2253 1 15 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.861 0.261 25151 2254 1 15 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.070 -0.175 25151 2255 1 15 . 1 1 10 10 ALA H H 10 8.713 8.713 8.793 -0.080 25151 2256 1 15 . 1 1 11 11 CYS N N 11 116.934 116.934 117.897 -0.963 25151 2257 1 15 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.638 0.161 25151 2258 1 15 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.714 -2.650 25151 2259 1 15 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.563 15.209 25151 2260 1 15 . 1 1 11 11 CYS H H 11 8.200 8.200 8.271 -0.071 25151 2261 1 15 . 1 1 12 12 ASN N N 12 119.371 119.371 119.327 0.044 25151 2262 1 15 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.168 -0.043 25151 2263 1 15 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.136 -1.699 25151 2264 1 15 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.936 -0.702 25151 2265 1 15 . 1 1 12 12 ASN H H 12 9.125 9.125 8.421 0.704 25151 2266 1 15 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 2267 1 15 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.149 -2.821 25151 2268 1 15 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.403 -0.372 25151 2269 1 15 . 1 1 14 14 LYS N N 14 113.430 113.430 117.456 -4.026 25151 2270 1 15 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.394 -0.166 25151 2271 1 15 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.638 -0.272 25151 2272 1 15 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.690 -0.423 25151 2273 1 15 . 1 1 14 14 LYS H H 14 7.648 7.648 8.192 -0.544 25151 2274 1 15 . 1 1 15 15 ASN N N 15 119.066 119.066 117.811 1.255 25151 2275 1 15 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.797 -0.155 25151 2276 1 15 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.427 0.202 25151 2277 1 15 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.117 -1.226 25151 2278 1 15 . 1 1 15 15 ASN H H 15 7.562 7.562 7.750 -0.188 25151 2279 1 15 . 1 1 16 16 ASP N N 16 124.551 124.551 124.033 0.518 25151 2280 1 15 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.579 -0.444 25151 2281 1 15 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.700 1.202 25151 2282 1 15 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.626 1.304 25151 2283 1 15 . 1 1 16 16 ASP H H 16 8.618 8.618 8.390 0.228 25151 2284 1 15 . 1 1 17 17 LYS N N 17 127.750 127.750 124.901 2.849 25151 2285 1 15 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.586 0.083 25151 2286 1 15 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.050 -0.956 25151 2287 1 15 . 1 1 17 17 LYS H H 17 7.913 7.913 8.495 -0.582 25151 2288 1 15 . 1 1 18 18 CYS N N 18 122.012 122.012 117.212 4.800 25151 2289 1 15 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.358 0.621 25151 2290 1 15 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.128 -3.245 25151 2291 1 15 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.385 11.677 25151 2292 1 15 . 1 1 18 18 CYS H H 18 9.343 9.343 7.560 1.783 25151 2293 1 15 . 1 1 19 19 CYS N N 19 120.742 120.742 119.921 0.821 25151 2294 1 15 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 2295 1 15 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.846 -3.081 25151 2296 1 15 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.925 10.716 25151 2297 1 15 . 1 1 19 19 CYS H H 19 9.347 9.347 8.386 0.961 25151 2298 1 15 . 1 1 20 20 ALA N N 20 119.473 119.473 123.920 -4.447 25151 2299 1 15 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 2300 1 15 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.274 1.253 25151 2301 1 15 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.887 1.020 25151 2302 1 15 . 1 1 20 20 ALA H H 20 8.087 8.087 8.578 -0.491 25151 2303 1 15 . 1 1 21 21 ASN N N 21 112.414 112.414 111.483 0.931 25151 2304 1 15 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.308 0.024 25151 2305 1 15 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.521 1.713 25151 2306 1 15 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.747 0.441 25151 2307 1 15 . 1 1 21 21 ASN H H 21 8.660 8.660 8.466 0.194 25151 2308 1 15 . 1 1 22 22 LEU N N 22 121.250 121.250 118.134 3.116 25151 2309 1 15 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.928 1.110 25151 2310 1 15 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.349 -2.271 25151 2311 1 15 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.721 2.397 25151 2312 1 15 . 1 1 22 22 LEU H H 22 8.407 8.407 7.754 0.653 25151 2313 1 15 . 1 1 23 23 VAL N N 23 116.883 116.883 116.596 0.287 25151 2314 1 15 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.342 0.104 25151 2315 1 15 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.907 -0.092 25151 2316 1 15 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.436 0.111 25151 2317 1 15 . 1 1 23 23 VAL H H 23 9.184 9.184 8.041 1.143 25151 2318 1 15 . 1 1 24 24 CYS N N 24 126.988 126.988 127.374 -0.386 25151 2319 1 15 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.204 -0.635 25151 2320 1 15 . 1 1 24 24 CYS CA C 24 55.881 55.881 56.940 -1.059 25151 2321 1 15 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.720 12.625 25151 2322 1 15 . 1 1 24 24 CYS H H 24 9.743 9.743 8.822 0.921 25151 2323 1 15 . 1 1 25 25 SER N N 25 123.484 123.484 122.501 0.983 25151 2324 1 15 . 1 1 25 25 SER HA H 25 4.452 4.452 4.529 -0.077 25151 2325 1 15 . 1 1 25 25 SER CA C 25 57.812 57.812 58.843 -1.031 25151 2326 1 15 . 1 1 25 25 SER CB C 25 63.906 63.906 64.272 -0.366 25151 2327 1 15 . 1 1 25 25 SER H H 25 8.338 8.338 8.590 -0.252 25151 2328 1 15 . 1 1 26 26 SER N N 26 125.516 125.516 123.416 2.100 25151 2329 1 15 . 1 1 26 26 SER HA H 26 3.868 3.868 4.283 -0.415 25151 2330 1 15 . 1 1 26 26 SER CA C 26 64.609 64.609 60.576 4.033 25151 2331 1 15 . 1 1 26 26 SER CB C 26 62.477 62.477 63.116 -0.639 25151 2332 1 15 . 1 1 26 26 SER H H 26 8.983 8.983 8.875 0.108 25151 2333 1 15 . 1 1 27 27 LYS N N 27 119.269 119.269 121.271 -2.002 25151 2334 1 15 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.305 -0.265 25151 2335 1 15 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.906 -0.067 25151 2336 1 15 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.800 0.403 25151 2337 1 15 . 1 1 27 27 LYS H H 27 7.650 7.650 7.508 0.142 25151 2338 1 15 . 1 1 28 28 HIS N N 28 112.008 112.008 117.238 -5.230 25151 2339 1 15 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.167 -0.045 25151 2340 1 15 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.409 -1.973 25151 2341 1 15 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.816 -1.543 25151 2342 1 15 . 1 1 28 28 HIS H H 28 6.929 6.929 7.823 -0.894 25151 2343 1 15 . 1 1 29 29 LYS N N 29 115.258 115.258 116.683 -1.425 25151 2344 1 15 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.187 -0.349 25151 2345 1 15 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.111 0.701 25151 2346 1 15 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.869 -2.056 25151 2347 1 15 . 1 1 29 29 LYS H H 29 8.153 8.153 8.234 -0.081 25151 2348 1 15 . 1 1 30 30 TRP N N 30 112.008 112.008 115.216 -3.208 25151 2349 1 15 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.296 0.506 25151 2350 1 15 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.855 0.473 25151 2351 1 15 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.296 0.822 25151 2352 1 15 . 1 1 30 30 TRP H H 30 6.910 6.910 8.066 -1.156 25151 2353 1 15 . 1 1 31 31 CYS N N 31 120.387 120.387 122.487 -2.100 25151 2354 1 15 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 2355 1 15 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.537 -3.758 25151 2356 1 15 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.950 14.608 25151 2357 1 15 . 1 1 31 31 CYS H H 31 8.581 8.581 8.765 -0.184 25151 2358 1 15 . 1 1 32 32 LYS N N 32 122.824 122.824 124.515 -1.691 25151 2359 1 15 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.821 0.659 25151 2360 1 15 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.205 0.571 25151 2361 1 15 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.689 0.452 25151 2362 1 15 . 1 1 32 32 LYS H H 32 9.326 9.326 8.395 0.931 25151 2363 1 15 . 1 1 33 33 GLY N N 33 106.828 106.828 105.931 0.897 25151 2364 1 15 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.857 1.997 25151 2365 1 15 . 1 1 33 33 GLY H H 33 8.424 8.424 8.201 0.223 25151 2366 1 15 . 1 1 34 34 LYS N N 34 122.367 122.367 124.956 -2.589 25151 2367 1 15 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.101 -0.016 25151 2368 1 15 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.829 0.982 25151 2369 1 15 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.688 0.783 25151 2370 1 15 . 1 1 34 34 LYS H H 34 8.123 8.123 8.360 -0.237 25151 2371 1 16 . 1 1 2 2 ASN N N 2 118.762 118.762 119.876 -1.114 25151 2372 1 16 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.779 0.040 25151 2373 1 16 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.943 0.267 25151 2374 1 16 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.839 -1.744 25151 2375 1 16 . 1 1 2 2 ASN H H 2 8.792 8.792 8.593 0.199 25151 2376 1 16 . 1 1 3 3 ASP N N 3 120.996 120.996 121.383 -0.387 25151 2377 1 16 . 1 1 3 3 ASP HA H 3 4.650 4.650 5.021 -0.371 25151 2378 1 16 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.493 0.602 25151 2379 1 16 . 1 1 3 3 ASP CB C 3 40.891 40.891 40.361 0.530 25151 2380 1 16 . 1 1 3 3 ASP H H 3 8.549 8.549 8.493 0.056 25151 2381 1 16 . 1 1 4 4 CYS N N 4 115.969 115.969 116.072 -0.103 25151 2382 1 16 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.333 -0.452 25151 2383 1 16 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.700 -2.266 25151 2384 1 16 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.386 13.049 25151 2385 1 16 . 1 1 4 4 CYS H H 4 8.054 8.054 8.361 -0.307 25151 2386 1 16 . 1 1 5 5 LEU N N 5 121.566 121.566 120.225 1.341 25151 2387 1 16 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.727 -0.296 25151 2388 1 16 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.478 1.053 25151 2389 1 16 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.910 -1.629 25151 2390 1 16 . 1 1 5 5 LEU H H 5 8.540 8.540 8.317 0.223 25151 2391 1 16 . 1 1 6 6 GLY N N 6 108.453 108.453 107.934 0.519 25151 2392 1 16 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.111 -0.830 25151 2393 1 16 . 1 1 6 6 GLY H H 6 8.235 8.235 8.213 0.022 25151 2394 1 16 . 1 1 7 7 PHE N N 7 118.965 118.965 120.020 -1.055 25151 2395 1 16 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.178 -0.770 25151 2396 1 16 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.987 2.619 25151 2397 1 16 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.576 -1.045 25151 2398 1 16 . 1 1 7 7 PHE H H 7 8.202 8.202 8.217 -0.015 25151 2399 1 16 . 1 1 8 8 TRP N N 8 120.031 120.031 119.709 0.322 25151 2400 1 16 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.808 0.031 25151 2401 1 16 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.309 0.737 25151 2402 1 16 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.532 0.268 25151 2403 1 16 . 1 1 8 8 TRP H H 8 9.067 9.067 8.057 1.010 25151 2404 1 16 . 1 1 9 9 SER N N 9 117.187 117.187 115.436 1.751 25151 2405 1 16 . 1 1 9 9 SER HA H 9 4.445 4.445 4.730 -0.285 25151 2406 1 16 . 1 1 9 9 SER CA C 9 59.703 59.703 56.920 2.783 25151 2407 1 16 . 1 1 9 9 SER CB C 9 64.804 64.804 64.168 0.636 25151 2408 1 16 . 1 1 9 9 SER H H 9 8.165 8.165 7.559 0.606 25151 2409 1 16 . 1 1 10 10 ALA N N 10 127.547 127.547 129.522 -1.975 25151 2410 1 16 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.456 0.458 25151 2411 1 16 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.871 0.251 25151 2412 1 16 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.071 -0.176 25151 2413 1 16 . 1 1 10 10 ALA H H 10 8.713 8.713 8.781 -0.068 25151 2414 1 16 . 1 1 11 11 CYS N N 11 116.934 116.934 118.708 -1.774 25151 2415 1 16 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.652 0.147 25151 2416 1 16 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.945 -2.881 25151 2417 1 16 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.406 15.366 25151 2418 1 16 . 1 1 11 11 CYS H H 11 8.200 8.200 8.103 0.097 25151 2419 1 16 . 1 1 12 12 ASN N N 12 119.371 119.371 118.723 0.648 25151 2420 1 16 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.150 -0.025 25151 2421 1 16 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.513 -2.076 25151 2422 1 16 . 1 1 12 12 ASN CB C 12 40.234 40.234 41.170 -0.936 25151 2423 1 16 . 1 1 12 12 ASN H H 12 9.125 9.125 8.285 0.840 25151 2424 1 16 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 2425 1 16 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.152 -2.824 25151 2426 1 16 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.404 -0.373 25151 2427 1 16 . 1 1 14 14 LYS N N 14 113.430 113.430 117.216 -3.786 25151 2428 1 16 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.421 -0.193 25151 2429 1 16 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.546 -0.181 25151 2430 1 16 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.750 -0.484 25151 2431 1 16 . 1 1 14 14 LYS H H 14 7.648 7.648 8.184 -0.536 25151 2432 1 16 . 1 1 15 15 ASN N N 15 119.066 119.066 118.017 1.049 25151 2433 1 16 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.790 -0.148 25151 2434 1 16 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.567 0.062 25151 2435 1 16 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.544 -1.653 25151 2436 1 16 . 1 1 15 15 ASN H H 15 7.562 7.562 7.785 -0.223 25151 2437 1 16 . 1 1 16 16 ASP N N 16 124.551 124.551 124.205 0.346 25151 2438 1 16 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.595 -0.460 25151 2439 1 16 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.757 1.145 25151 2440 1 16 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.499 1.431 25151 2441 1 16 . 1 1 16 16 ASP H H 16 8.618 8.618 8.408 0.210 25151 2442 1 16 . 1 1 17 17 LYS N N 17 127.750 127.750 124.918 2.832 25151 2443 1 16 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.588 0.081 25151 2444 1 16 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.999 -0.905 25151 2445 1 16 . 1 1 17 17 LYS H H 17 7.913 7.913 8.496 -0.583 25151 2446 1 16 . 1 1 18 18 CYS N N 18 122.012 122.012 117.219 4.793 25151 2447 1 16 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.354 0.625 25151 2448 1 16 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.136 -3.253 25151 2449 1 16 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.383 11.679 25151 2450 1 16 . 1 1 18 18 CYS H H 18 9.343 9.343 7.568 1.775 25151 2451 1 16 . 1 1 19 19 CYS N N 19 120.742 120.742 119.903 0.839 25151 2452 1 16 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.536 -0.095 25151 2453 1 16 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.823 -3.058 25151 2454 1 16 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.940 10.701 25151 2455 1 16 . 1 1 19 19 CYS H H 19 9.347 9.347 8.402 0.945 25151 2456 1 16 . 1 1 20 20 ALA N N 20 119.473 119.473 123.868 -4.395 25151 2457 1 16 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.947 0.169 25151 2458 1 16 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.279 1.248 25151 2459 1 16 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.919 0.988 25151 2460 1 16 . 1 1 20 20 ALA H H 20 8.087 8.087 8.576 -0.489 25151 2461 1 16 . 1 1 21 21 ASN N N 21 112.414 112.414 111.486 0.928 25151 2462 1 16 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.310 0.022 25151 2463 1 16 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.496 1.738 25151 2464 1 16 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.635 0.553 25151 2465 1 16 . 1 1 21 21 ASN H H 21 8.660 8.660 8.465 0.195 25151 2466 1 16 . 1 1 22 22 LEU N N 22 121.250 121.250 118.109 3.141 25151 2467 1 16 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.931 1.107 25151 2468 1 16 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.350 -2.272 25151 2469 1 16 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.719 2.398 25151 2470 1 16 . 1 1 22 22 LEU H H 22 8.407 8.407 7.756 0.651 25151 2471 1 16 . 1 1 23 23 VAL N N 23 116.883 116.883 116.565 0.318 25151 2472 1 16 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.345 0.101 25151 2473 1 16 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.923 -0.108 25151 2474 1 16 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.444 0.103 25151 2475 1 16 . 1 1 23 23 VAL H H 23 9.184 9.184 8.046 1.138 25151 2476 1 16 . 1 1 24 24 CYS N N 24 126.988 126.988 127.797 -0.809 25151 2477 1 16 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.185 -0.616 25151 2478 1 16 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.074 -1.193 25151 2479 1 16 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.772 12.573 25151 2480 1 16 . 1 1 24 24 CYS H H 24 9.743 9.743 8.749 0.994 25151 2481 1 16 . 1 1 25 25 SER N N 25 123.484 123.484 122.876 0.608 25151 2482 1 16 . 1 1 25 25 SER HA H 25 4.452 4.452 4.501 -0.049 25151 2483 1 16 . 1 1 25 25 SER CA C 25 57.812 57.812 58.989 -1.177 25151 2484 1 16 . 1 1 25 25 SER CB C 25 63.906 63.906 64.254 -0.348 25151 2485 1 16 . 1 1 25 25 SER H H 25 8.338 8.338 8.639 -0.301 25151 2486 1 16 . 1 1 26 26 SER N N 26 125.516 125.516 124.389 1.127 25151 2487 1 16 . 1 1 26 26 SER HA H 26 3.868 3.868 4.286 -0.418 25151 2488 1 16 . 1 1 26 26 SER CA C 26 64.609 64.609 60.552 4.057 25151 2489 1 16 . 1 1 26 26 SER CB C 26 62.477 62.477 62.780 -0.303 25151 2490 1 16 . 1 1 26 26 SER H H 26 8.983 8.983 9.041 -0.058 25151 2491 1 16 . 1 1 27 27 LYS N N 27 119.269 119.269 120.988 -1.719 25151 2492 1 16 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.233 -0.193 25151 2493 1 16 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.691 0.148 25151 2494 1 16 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.606 0.597 25151 2495 1 16 . 1 1 27 27 LYS H H 27 7.650 7.650 7.545 0.105 25151 2496 1 16 . 1 1 28 28 HIS N N 28 112.008 112.008 116.363 -4.355 25151 2497 1 16 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.235 -0.113 25151 2498 1 16 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.669 -1.233 25151 2499 1 16 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.867 -1.595 25151 2500 1 16 . 1 1 28 28 HIS H H 28 6.929 6.929 7.643 -0.714 25151 2501 1 16 . 1 1 29 29 LYS N N 29 115.258 115.258 116.696 -1.438 25151 2502 1 16 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.189 -0.351 25151 2503 1 16 . 1 1 29 29 LYS CA C 29 57.812 57.812 56.995 0.817 25151 2504 1 16 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.018 -2.205 25151 2505 1 16 . 1 1 29 29 LYS H H 29 8.153 8.153 8.215 -0.062 25151 2506 1 16 . 1 1 30 30 TRP N N 30 112.008 112.008 115.182 -3.174 25151 2507 1 16 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.281 0.521 25151 2508 1 16 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.830 0.498 25151 2509 1 16 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.260 0.858 25151 2510 1 16 . 1 1 30 30 TRP H H 30 6.910 6.910 8.062 -1.152 25151 2511 1 16 . 1 1 31 31 CYS N N 31 120.387 120.387 122.487 -2.100 25151 2512 1 16 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.016 -0.033 25151 2513 1 16 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.545 -3.766 25151 2514 1 16 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.947 14.611 25151 2515 1 16 . 1 1 31 31 CYS H H 31 8.581 8.581 8.755 -0.174 25151 2516 1 16 . 1 1 32 32 LYS N N 32 122.824 122.824 124.527 -1.703 25151 2517 1 16 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.846 0.633 25151 2518 1 16 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.229 0.547 25151 2519 1 16 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.730 0.411 25151 2520 1 16 . 1 1 32 32 LYS H H 32 9.326 9.326 8.403 0.923 25151 2521 1 16 . 1 1 33 33 GLY N N 33 106.828 106.828 105.995 0.833 25151 2522 1 16 . 1 1 33 33 GLY CA C 33 45.854 45.854 44.312 1.542 25151 2523 1 16 . 1 1 33 33 GLY H H 33 8.424 8.424 8.215 0.209 25151 2524 1 16 . 1 1 34 34 LYS N N 34 122.367 122.367 124.241 -1.874 25151 2525 1 16 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.263 -0.178 25151 2526 1 16 . 1 1 34 34 LYS CA C 34 57.811 57.811 55.139 2.672 25151 2527 1 16 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.629 0.842 25151 2528 1 16 . 1 1 34 34 LYS H H 34 8.123 8.123 8.262 -0.139 25151 2529 1 17 . 1 1 2 2 ASN N N 2 118.762 118.762 120.740 -1.978 25151 2530 1 17 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.924 -0.105 25151 2531 1 17 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.627 0.584 25151 2532 1 17 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.727 -0.632 25151 2533 1 17 . 1 1 2 2 ASN H H 2 8.792 8.792 8.294 0.498 25151 2534 1 17 . 1 1 3 3 ASP N N 3 120.996 120.996 122.055 -1.059 25151 2535 1 17 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.840 -0.190 25151 2536 1 17 . 1 1 3 3 ASP CA C 3 54.095 54.095 54.240 -0.145 25151 2537 1 17 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.944 -1.053 25151 2538 1 17 . 1 1 3 3 ASP H H 3 8.549 8.549 8.568 -0.019 25151 2539 1 17 . 1 1 4 4 CYS N N 4 115.969 115.969 116.587 -0.618 25151 2540 1 17 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.278 -0.397 25151 2541 1 17 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.247 -1.813 25151 2542 1 17 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.470 12.965 25151 2543 1 17 . 1 1 4 4 CYS H H 4 8.054 8.054 8.256 -0.202 25151 2544 1 17 . 1 1 5 5 LEU N N 5 121.566 121.566 120.285 1.281 25151 2545 1 17 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.719 -0.288 25151 2546 1 17 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.571 0.960 25151 2547 1 17 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.877 -1.596 25151 2548 1 17 . 1 1 5 5 LEU H H 5 8.540 8.540 8.328 0.212 25151 2549 1 17 . 1 1 6 6 GLY N N 6 108.453 108.453 107.881 0.572 25151 2550 1 17 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.075 -0.794 25151 2551 1 17 . 1 1 6 6 GLY H H 6 8.235 8.235 8.205 0.030 25151 2552 1 17 . 1 1 7 7 PHE N N 7 118.965 118.965 120.012 -1.047 25151 2553 1 17 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.169 -0.761 25151 2554 1 17 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.006 2.600 25151 2555 1 17 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.543 -1.012 25151 2556 1 17 . 1 1 7 7 PHE H H 7 8.202 8.202 8.219 -0.017 25151 2557 1 17 . 1 1 8 8 TRP N N 8 120.031 120.031 119.412 0.619 25151 2558 1 17 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.806 0.033 25151 2559 1 17 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.395 0.652 25151 2560 1 17 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.448 0.352 25151 2561 1 17 . 1 1 8 8 TRP H H 8 9.067 9.067 8.073 0.994 25151 2562 1 17 . 1 1 9 9 SER N N 9 117.187 117.187 115.253 1.934 25151 2563 1 17 . 1 1 9 9 SER HA H 9 4.445 4.445 4.727 -0.282 25151 2564 1 17 . 1 1 9 9 SER CA C 9 59.703 59.703 57.241 2.462 25151 2565 1 17 . 1 1 9 9 SER CB C 9 64.804 64.804 64.383 0.421 25151 2566 1 17 . 1 1 9 9 SER H H 9 8.165 8.165 7.569 0.596 25151 2567 1 17 . 1 1 10 10 ALA N N 10 127.547 127.547 129.431 -1.884 25151 2568 1 17 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.465 0.449 25151 2569 1 17 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.836 0.287 25151 2570 1 17 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.073 -0.178 25151 2571 1 17 . 1 1 10 10 ALA H H 10 8.713 8.713 8.771 -0.058 25151 2572 1 17 . 1 1 11 11 CYS N N 11 116.934 116.934 117.921 -0.987 25151 2573 1 17 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.637 0.162 25151 2574 1 17 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.732 -2.668 25151 2575 1 17 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.547 15.226 25151 2576 1 17 . 1 1 11 11 CYS H H 11 8.200 8.200 8.265 -0.065 25151 2577 1 17 . 1 1 12 12 ASN N N 12 119.371 119.371 119.313 0.058 25151 2578 1 17 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.173 -0.048 25151 2579 1 17 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.118 -1.681 25151 2580 1 17 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.950 -0.716 25151 2581 1 17 . 1 1 12 12 ASN H H 12 9.125 9.125 8.421 0.704 25151 2582 1 17 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 2583 1 17 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.172 -2.844 25151 2584 1 17 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.411 -0.380 25151 2585 1 17 . 1 1 14 14 LYS N N 14 113.430 113.430 117.402 -3.972 25151 2586 1 17 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.396 -0.168 25151 2587 1 17 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.653 -0.288 25151 2588 1 17 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.696 -0.430 25151 2589 1 17 . 1 1 14 14 LYS H H 14 7.648 7.648 8.181 -0.533 25151 2590 1 17 . 1 1 15 15 ASN N N 15 119.066 119.066 117.831 1.235 25151 2591 1 17 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.791 -0.149 25151 2592 1 17 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.409 0.220 25151 2593 1 17 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.063 -1.172 25151 2594 1 17 . 1 1 15 15 ASN H H 15 7.562 7.562 7.758 -0.196 25151 2595 1 17 . 1 1 16 16 ASP N N 16 124.551 124.551 124.018 0.533 25151 2596 1 17 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.582 -0.447 25151 2597 1 17 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.689 1.213 25151 2598 1 17 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.608 1.323 25151 2599 1 17 . 1 1 16 16 ASP H H 16 8.618 8.618 8.395 0.223 25151 2600 1 17 . 1 1 17 17 LYS N N 17 127.750 127.750 124.833 2.917 25151 2601 1 17 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.595 0.074 25151 2602 1 17 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.815 -0.721 25151 2603 1 17 . 1 1 17 17 LYS H H 17 7.913 7.913 8.496 -0.583 25151 2604 1 17 . 1 1 18 18 CYS N N 18 122.012 122.012 117.325 4.687 25151 2605 1 17 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.349 0.630 25151 2606 1 17 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.185 -3.302 25151 2607 1 17 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.366 11.695 25151 2608 1 17 . 1 1 18 18 CYS H H 18 9.343 9.343 7.584 1.759 25151 2609 1 17 . 1 1 19 19 CYS N N 19 120.742 120.742 119.820 0.922 25151 2610 1 17 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.530 -0.089 25151 2611 1 17 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.729 -2.964 25151 2612 1 17 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.032 10.609 25151 2613 1 17 . 1 1 19 19 CYS H H 19 9.347 9.347 8.395 0.952 25151 2614 1 17 . 1 1 20 20 ALA N N 20 119.473 119.473 123.944 -4.471 25151 2615 1 17 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.945 0.171 25151 2616 1 17 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.268 1.259 25151 2617 1 17 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.855 1.052 25151 2618 1 17 . 1 1 20 20 ALA H H 20 8.087 8.087 8.581 -0.494 25151 2619 1 17 . 1 1 21 21 ASN N N 21 112.414 112.414 111.480 0.934 25151 2620 1 17 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.306 0.026 25151 2621 1 17 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.540 1.694 25151 2622 1 17 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.842 0.346 25151 2623 1 17 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 2624 1 17 . 1 1 22 22 LEU N N 22 121.250 121.250 118.082 3.168 25151 2625 1 17 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.915 1.123 25151 2626 1 17 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.384 -2.306 25151 2627 1 17 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.486 2.632 25151 2628 1 17 . 1 1 22 22 LEU H H 22 8.407 8.407 7.761 0.646 25151 2629 1 17 . 1 1 23 23 VAL N N 23 116.883 116.883 116.925 -0.042 25151 2630 1 17 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.315 0.131 25151 2631 1 17 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.142 -0.327 25151 2632 1 17 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.679 -0.132 25151 2633 1 17 . 1 1 23 23 VAL H H 23 9.184 9.184 8.011 1.173 25151 2634 1 17 . 1 1 24 24 CYS N N 24 126.988 126.988 128.315 -1.327 25151 2635 1 17 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.163 -0.594 25151 2636 1 17 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.108 -1.227 25151 2637 1 17 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.783 12.562 25151 2638 1 17 . 1 1 24 24 CYS H H 24 9.743 9.743 8.695 1.048 25151 2639 1 17 . 1 1 25 25 SER N N 25 123.484 123.484 122.916 0.568 25151 2640 1 17 . 1 1 25 25 SER HA H 25 4.452 4.452 4.562 -0.111 25151 2641 1 17 . 1 1 25 25 SER CA C 25 57.812 57.812 58.994 -1.182 25151 2642 1 17 . 1 1 25 25 SER CB C 25 63.906 63.906 64.151 -0.245 25151 2643 1 17 . 1 1 25 25 SER H H 25 8.338 8.338 8.633 -0.295 25151 2644 1 17 . 1 1 26 26 SER N N 26 125.516 125.516 124.084 1.432 25151 2645 1 17 . 1 1 26 26 SER HA H 26 3.868 3.868 4.383 -0.515 25151 2646 1 17 . 1 1 26 26 SER CA C 26 64.609 64.609 60.144 4.465 25151 2647 1 17 . 1 1 26 26 SER CB C 26 62.477 62.477 63.123 -0.646 25151 2648 1 17 . 1 1 26 26 SER H H 26 8.983 8.983 8.927 0.056 25151 2649 1 17 . 1 1 27 27 LYS N N 27 119.269 119.269 122.832 -3.563 25151 2650 1 17 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.271 -0.231 25151 2651 1 17 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.789 0.050 25151 2652 1 17 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.902 0.301 25151 2653 1 17 . 1 1 27 27 LYS H H 27 7.650 7.650 7.577 0.073 25151 2654 1 17 . 1 1 28 28 HIS N N 28 112.008 112.008 116.510 -4.502 25151 2655 1 17 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.133 -0.011 25151 2656 1 17 . 1 1 28 28 HIS CA C 28 55.436 55.436 57.217 -1.781 25151 2657 1 17 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.838 -1.565 25151 2658 1 17 . 1 1 28 28 HIS H H 28 6.929 6.929 7.752 -0.823 25151 2659 1 17 . 1 1 29 29 LYS N N 29 115.258 115.258 116.639 -1.381 25151 2660 1 17 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.190 -0.352 25151 2661 1 17 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.018 0.794 25151 2662 1 17 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.925 -2.112 25151 2663 1 17 . 1 1 29 29 LYS H H 29 8.153 8.153 8.220 -0.067 25151 2664 1 17 . 1 1 30 30 TRP N N 30 112.008 112.008 115.189 -3.181 25151 2665 1 17 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.290 0.512 25151 2666 1 17 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.824 0.504 25151 2667 1 17 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.276 0.841 25151 2668 1 17 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 2669 1 17 . 1 1 31 31 CYS N N 31 120.387 120.387 122.493 -2.106 25151 2670 1 17 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.014 -0.031 25151 2671 1 17 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.539 -3.760 25151 2672 1 17 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.933 14.626 25151 2673 1 17 . 1 1 31 31 CYS H H 31 8.581 8.581 8.762 -0.181 25151 2674 1 17 . 1 1 32 32 LYS N N 32 122.824 122.824 124.510 -1.686 25151 2675 1 17 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.830 0.650 25151 2676 1 17 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.203 0.574 25151 2677 1 17 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.699 0.442 25151 2678 1 17 . 1 1 32 32 LYS H H 32 9.326 9.326 8.393 0.933 25151 2679 1 17 . 1 1 33 33 GLY N N 33 106.828 106.828 106.005 0.823 25151 2680 1 17 . 1 1 33 33 GLY CA C 33 45.854 45.854 44.324 1.530 25151 2681 1 17 . 1 1 33 33 GLY H H 33 8.424 8.424 8.205 0.219 25151 2682 1 17 . 1 1 34 34 LYS N N 34 122.367 122.367 124.930 -2.563 25151 2683 1 17 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.263 -0.178 25151 2684 1 17 . 1 1 34 34 LYS CA C 34 57.811 57.811 55.585 2.226 25151 2685 1 17 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.481 0.990 25151 2686 1 17 . 1 1 34 34 LYS H H 34 8.123 8.123 8.303 -0.180 25151 2687 1 18 . 1 1 2 2 ASN N N 2 118.762 118.762 119.907 -1.145 25151 2688 1 18 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.765 0.054 25151 2689 1 18 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.736 0.474 25151 2690 1 18 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.408 -0.313 25151 2691 1 18 . 1 1 2 2 ASN H H 2 8.792 8.792 8.417 0.375 25151 2692 1 18 . 1 1 3 3 ASP N N 3 120.996 120.996 122.448 -1.452 25151 2693 1 18 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.904 -0.254 25151 2694 1 18 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.410 0.685 25151 2695 1 18 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.185 -0.294 25151 2696 1 18 . 1 1 3 3 ASP H H 3 8.549 8.549 8.512 0.037 25151 2697 1 18 . 1 1 4 4 CYS N N 4 115.969 115.969 116.686 -0.717 25151 2698 1 18 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.270 -0.389 25151 2699 1 18 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.449 -2.014 25151 2700 1 18 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.174 13.261 25151 2701 1 18 . 1 1 4 4 CYS H H 4 8.054 8.054 8.277 -0.223 25151 2702 1 18 . 1 1 5 5 LEU N N 5 121.566 121.566 120.265 1.301 25151 2703 1 18 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.726 -0.295 25151 2704 1 18 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.499 1.032 25151 2705 1 18 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.843 -1.562 25151 2706 1 18 . 1 1 5 5 LEU H H 5 8.540 8.540 8.340 0.200 25151 2707 1 18 . 1 1 6 6 GLY N N 6 108.453 108.453 107.811 0.642 25151 2708 1 18 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.055 -0.774 25151 2709 1 18 . 1 1 6 6 GLY H H 6 8.235 8.235 8.194 0.041 25151 2710 1 18 . 1 1 7 7 PHE N N 7 118.965 118.965 120.010 -1.045 25151 2711 1 18 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.172 -0.764 25151 2712 1 18 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.021 2.585 25151 2713 1 18 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.552 -1.021 25151 2714 1 18 . 1 1 7 7 PHE H H 7 8.202 8.202 8.222 -0.020 25151 2715 1 18 . 1 1 8 8 TRP N N 8 120.031 120.031 119.345 0.686 25151 2716 1 18 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.805 0.034 25151 2717 1 18 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.478 0.569 25151 2718 1 18 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.368 0.432 25151 2719 1 18 . 1 1 8 8 TRP H H 8 9.067 9.067 8.057 1.010 25151 2720 1 18 . 1 1 9 9 SER N N 9 117.187 117.187 115.252 1.935 25151 2721 1 18 . 1 1 9 9 SER HA H 9 4.445 4.445 4.709 -0.264 25151 2722 1 18 . 1 1 9 9 SER CA C 9 59.703 59.703 57.009 2.694 25151 2723 1 18 . 1 1 9 9 SER CB C 9 64.804 64.804 64.314 0.490 25151 2724 1 18 . 1 1 9 9 SER H H 9 8.165 8.165 7.592 0.573 25151 2725 1 18 . 1 1 10 10 ALA N N 10 127.547 127.547 129.465 -1.918 25151 2726 1 18 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.470 0.444 25151 2727 1 18 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.831 0.291 25151 2728 1 18 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.072 -0.177 25151 2729 1 18 . 1 1 10 10 ALA H H 10 8.713 8.713 8.777 -0.064 25151 2730 1 18 . 1 1 11 11 CYS N N 11 116.934 116.934 118.173 -1.239 25151 2731 1 18 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.976 -0.177 25151 2732 1 18 . 1 1 11 11 CYS CA C 11 54.064 54.064 57.097 -3.033 25151 2733 1 18 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.792 14.980 25151 2734 1 18 . 1 1 11 11 CYS H H 11 8.200 8.200 8.286 -0.086 25151 2735 1 18 . 1 1 12 12 ASN N N 12 119.371 119.371 119.328 0.043 25151 2736 1 18 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.170 -0.045 25151 2737 1 18 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.128 -1.691 25151 2738 1 18 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.936 -0.702 25151 2739 1 18 . 1 1 12 12 ASN H H 12 9.125 9.125 8.419 0.706 25151 2740 1 18 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.464 -0.487 25151 2741 1 18 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.172 -2.844 25151 2742 1 18 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.411 -0.380 25151 2743 1 18 . 1 1 14 14 LYS N N 14 113.430 113.430 117.480 -4.050 25151 2744 1 18 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.391 -0.163 25151 2745 1 18 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.632 -0.267 25151 2746 1 18 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.664 -0.398 25151 2747 1 18 . 1 1 14 14 LYS H H 14 7.648 7.648 8.195 -0.547 25151 2748 1 18 . 1 1 15 15 ASN N N 15 119.066 119.066 117.729 1.337 25151 2749 1 18 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.798 -0.156 25151 2750 1 18 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.472 0.157 25151 2751 1 18 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.196 -1.305 25151 2752 1 18 . 1 1 15 15 ASN H H 15 7.562 7.562 7.739 -0.177 25151 2753 1 18 . 1 1 16 16 ASP N N 16 124.551 124.551 124.137 0.414 25151 2754 1 18 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.583 -0.448 25151 2755 1 18 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.660 1.242 25151 2756 1 18 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.621 1.309 25151 2757 1 18 . 1 1 16 16 ASP H H 16 8.618 8.618 8.398 0.220 25151 2758 1 18 . 1 1 17 17 LYS N N 17 127.750 127.750 124.823 2.927 25151 2759 1 18 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.596 0.073 25151 2760 1 18 . 1 1 17 17 LYS CB C 17 31.094 31.094 31.777 -0.683 25151 2761 1 18 . 1 1 17 17 LYS H H 17 7.913 7.913 8.495 -0.582 25151 2762 1 18 . 1 1 18 18 CYS N N 18 122.012 122.012 117.322 4.690 25151 2763 1 18 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.360 0.619 25151 2764 1 18 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.156 -3.273 25151 2765 1 18 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.407 11.655 25151 2766 1 18 . 1 1 18 18 CYS H H 18 9.343 9.343 7.575 1.768 25151 2767 1 18 . 1 1 19 19 CYS N N 19 120.742 120.742 119.826 0.916 25151 2768 1 18 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 2769 1 18 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.736 -2.971 25151 2770 1 18 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.027 10.614 25151 2771 1 18 . 1 1 19 19 CYS H H 19 9.347 9.347 8.384 0.963 25151 2772 1 18 . 1 1 20 20 ALA N N 20 119.473 119.473 123.922 -4.449 25151 2773 1 18 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.947 0.169 25151 2774 1 18 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.275 1.252 25151 2775 1 18 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.853 1.054 25151 2776 1 18 . 1 1 20 20 ALA H H 20 8.087 8.087 8.583 -0.496 25151 2777 1 18 . 1 1 21 21 ASN N N 21 112.414 112.414 111.414 1.000 25151 2778 1 18 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.306 0.026 25151 2779 1 18 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.534 1.700 25151 2780 1 18 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.823 0.365 25151 2781 1 18 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 2782 1 18 . 1 1 22 22 LEU N N 22 121.250 121.250 118.182 3.068 25151 2783 1 18 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.942 1.096 25151 2784 1 18 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.277 -2.199 25151 2785 1 18 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.615 2.503 25151 2786 1 18 . 1 1 22 22 LEU H H 22 8.407 8.407 7.817 0.590 25151 2787 1 18 . 1 1 23 23 VAL N N 23 116.883 116.883 117.671 -0.788 25151 2788 1 18 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.313 0.133 25151 2789 1 18 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.920 -0.106 25151 2790 1 18 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.386 0.161 25151 2791 1 18 . 1 1 23 23 VAL H H 23 9.184 9.184 8.077 1.107 25151 2792 1 18 . 1 1 24 24 CYS N N 24 126.988 126.988 127.699 -0.711 25151 2793 1 18 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.152 -0.583 25151 2794 1 18 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.153 -1.272 25151 2795 1 18 . 1 1 24 24 CYS CB C 24 38.345 38.345 26.015 12.329 25151 2796 1 18 . 1 1 24 24 CYS H H 24 9.743 9.743 8.670 1.073 25151 2797 1 18 . 1 1 25 25 SER N N 25 123.484 123.484 122.698 0.786 25151 2798 1 18 . 1 1 25 25 SER HA H 25 4.452 4.452 4.524 -0.072 25151 2799 1 18 . 1 1 25 25 SER CA C 25 57.812 57.812 58.943 -1.131 25151 2800 1 18 . 1 1 25 25 SER CB C 25 63.906 63.906 64.327 -0.421 25151 2801 1 18 . 1 1 25 25 SER H H 25 8.338 8.338 8.613 -0.275 25151 2802 1 18 . 1 1 26 26 SER N N 26 125.516 125.516 123.972 1.544 25151 2803 1 18 . 1 1 26 26 SER HA H 26 3.868 3.868 4.257 -0.389 25151 2804 1 18 . 1 1 26 26 SER CA C 26 64.609 64.609 60.759 3.850 25151 2805 1 18 . 1 1 26 26 SER CB C 26 62.477 62.477 63.004 -0.527 25151 2806 1 18 . 1 1 26 26 SER H H 26 8.983 8.983 8.914 0.069 25151 2807 1 18 . 1 1 27 27 LYS N N 27 119.269 119.269 122.935 -3.666 25151 2808 1 18 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.239 -0.199 25151 2809 1 18 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.953 -0.114 25151 2810 1 18 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.585 0.618 25151 2811 1 18 . 1 1 27 27 LYS H H 27 7.650 7.650 7.536 0.114 25151 2812 1 18 . 1 1 28 28 HIS N N 28 112.008 112.008 116.618 -4.610 25151 2813 1 18 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.193 -0.071 25151 2814 1 18 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.745 -1.309 25151 2815 1 18 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.942 -1.669 25151 2816 1 18 . 1 1 28 28 HIS H H 28 6.929 6.929 7.706 -0.777 25151 2817 1 18 . 1 1 29 29 LYS N N 29 115.258 115.258 116.692 -1.434 25151 2818 1 18 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.189 -0.351 25151 2819 1 18 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.029 0.783 25151 2820 1 18 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.000 -2.187 25151 2821 1 18 . 1 1 29 29 LYS H H 29 8.153 8.153 8.220 -0.067 25151 2822 1 18 . 1 1 30 30 TRP N N 30 112.008 112.008 115.196 -3.188 25151 2823 1 18 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.283 0.519 25151 2824 1 18 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.840 0.488 25151 2825 1 18 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.262 0.857 25151 2826 1 18 . 1 1 30 30 TRP H H 30 6.910 6.910 8.064 -1.154 25151 2827 1 18 . 1 1 31 31 CYS N N 31 120.387 120.387 122.479 -2.092 25151 2828 1 18 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.015 -0.032 25151 2829 1 18 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.531 -3.752 25151 2830 1 18 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.943 14.615 25151 2831 1 18 . 1 1 31 31 CYS H H 31 8.581 8.581 8.755 -0.174 25151 2832 1 18 . 1 1 32 32 LYS N N 32 122.824 122.824 124.511 -1.687 25151 2833 1 18 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.837 0.643 25151 2834 1 18 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.215 0.562 25151 2835 1 18 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.716 0.425 25151 2836 1 18 . 1 1 32 32 LYS H H 32 9.326 9.326 8.400 0.926 25151 2837 1 18 . 1 1 33 33 GLY N N 33 106.828 106.828 106.023 0.805 25151 2838 1 18 . 1 1 33 33 GLY CA C 33 45.854 45.854 44.315 1.539 25151 2839 1 18 . 1 1 33 33 GLY H H 33 8.424 8.424 8.212 0.212 25151 2840 1 18 . 1 1 34 34 LYS N N 34 122.367 122.367 124.423 -2.056 25151 2841 1 18 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.245 -0.160 25151 2842 1 18 . 1 1 34 34 LYS CA C 34 57.811 57.811 55.194 2.617 25151 2843 1 18 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.565 0.906 25151 2844 1 18 . 1 1 34 34 LYS H H 34 8.123 8.123 8.264 -0.141 25151 2845 1 19 . 1 1 2 2 ASN N N 2 118.762 118.762 118.446 0.316 25151 2846 1 19 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.902 -0.083 25151 2847 1 19 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.177 1.033 25151 2848 1 19 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.364 -1.269 25151 2849 1 19 . 1 1 2 2 ASN H H 2 8.792 8.792 8.108 0.684 25151 2850 1 19 . 1 1 3 3 ASP N N 3 120.996 120.996 121.721 -0.725 25151 2851 1 19 . 1 1 3 3 ASP HA H 3 4.650 4.650 5.019 -0.369 25151 2852 1 19 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.744 0.351 25151 2853 1 19 . 1 1 3 3 ASP CB C 3 40.891 40.891 40.983 -0.091 25151 2854 1 19 . 1 1 3 3 ASP H H 3 8.549 8.549 8.550 -0.001 25151 2855 1 19 . 1 1 4 4 CYS N N 4 115.969 115.969 116.072 -0.103 25151 2856 1 19 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.225 -0.344 25151 2857 1 19 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.999 -2.565 25151 2858 1 19 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.215 13.220 25151 2859 1 19 . 1 1 4 4 CYS H H 4 8.054 8.054 8.374 -0.320 25151 2860 1 19 . 1 1 5 5 LEU N N 5 121.566 121.566 120.347 1.219 25151 2861 1 19 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.727 -0.296 25151 2862 1 19 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.545 0.986 25151 2863 1 19 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.819 -1.538 25151 2864 1 19 . 1 1 5 5 LEU H H 5 8.540 8.540 8.352 0.188 25151 2865 1 19 . 1 1 6 6 GLY N N 6 108.453 108.453 107.780 0.673 25151 2866 1 19 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.066 -0.785 25151 2867 1 19 . 1 1 6 6 GLY H H 6 8.235 8.235 8.192 0.043 25151 2868 1 19 . 1 1 7 7 PHE N N 7 118.965 118.965 120.010 -1.045 25151 2869 1 19 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.164 -0.756 25151 2870 1 19 . 1 1 7 7 PHE CA C 7 60.606 60.606 58.014 2.592 25151 2871 1 19 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.537 -1.006 25151 2872 1 19 . 1 1 7 7 PHE H H 7 8.202 8.202 8.209 -0.007 25151 2873 1 19 . 1 1 8 8 TRP N N 8 120.031 120.031 120.242 -0.211 25151 2874 1 19 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.819 0.020 25151 2875 1 19 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.286 0.761 25151 2876 1 19 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.401 0.398 25151 2877 1 19 . 1 1 8 8 TRP H H 8 9.067 9.067 7.971 1.096 25151 2878 1 19 . 1 1 9 9 SER N N 9 117.187 117.187 115.675 1.512 25151 2879 1 19 . 1 1 9 9 SER HA H 9 4.445 4.445 4.726 -0.281 25151 2880 1 19 . 1 1 9 9 SER CA C 9 59.703 59.703 57.326 2.377 25151 2881 1 19 . 1 1 9 9 SER CB C 9 64.804 64.804 64.239 0.565 25151 2882 1 19 . 1 1 9 9 SER H H 9 8.165 8.165 7.591 0.574 25151 2883 1 19 . 1 1 10 10 ALA N N 10 127.547 127.547 129.716 -2.169 25151 2884 1 19 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.469 0.445 25151 2885 1 19 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.916 0.206 25151 2886 1 19 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.004 -0.109 25151 2887 1 19 . 1 1 10 10 ALA H H 10 8.713 8.713 8.841 -0.128 25151 2888 1 19 . 1 1 11 11 CYS N N 11 116.934 116.934 118.720 -1.786 25151 2889 1 19 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.663 0.136 25151 2890 1 19 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.858 -2.793 25151 2891 1 19 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.554 15.218 25151 2892 1 19 . 1 1 11 11 CYS H H 11 8.200 8.200 8.079 0.121 25151 2893 1 19 . 1 1 12 12 ASN N N 12 119.371 119.371 118.436 0.935 25151 2894 1 19 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.172 -0.047 25151 2895 1 19 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.398 -1.961 25151 2896 1 19 . 1 1 12 12 ASN CB C 12 40.234 40.234 41.186 -0.952 25151 2897 1 19 . 1 1 12 12 ASN H H 12 9.125 9.125 8.251 0.874 25151 2898 1 19 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.466 -0.489 25151 2899 1 19 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.175 -2.847 25151 2900 1 19 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.415 -0.384 25151 2901 1 19 . 1 1 14 14 LYS N N 14 113.430 113.430 117.271 -3.841 25151 2902 1 19 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.402 -0.174 25151 2903 1 19 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.647 -0.282 25151 2904 1 19 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.713 -0.447 25151 2905 1 19 . 1 1 14 14 LYS H H 14 7.648 7.648 8.187 -0.539 25151 2906 1 19 . 1 1 15 15 ASN N N 15 119.066 119.066 117.978 1.088 25151 2907 1 19 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.782 -0.140 25151 2908 1 19 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.612 0.017 25151 2909 1 19 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.359 -1.468 25151 2910 1 19 . 1 1 15 15 ASN H H 15 7.562 7.562 7.784 -0.222 25151 2911 1 19 . 1 1 16 16 ASP N N 16 124.551 124.551 123.940 0.611 25151 2912 1 19 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.604 -0.469 25151 2913 1 19 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.647 1.256 25151 2914 1 19 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.463 1.467 25151 2915 1 19 . 1 1 16 16 ASP H H 16 8.618 8.618 8.399 0.219 25151 2916 1 19 . 1 1 17 17 LYS N N 17 127.750 127.750 124.455 3.295 25151 2917 1 19 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.565 0.104 25151 2918 1 19 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.173 -1.079 25151 2919 1 19 . 1 1 17 17 LYS H H 17 7.913 7.913 8.471 -0.558 25151 2920 1 19 . 1 1 18 18 CYS N N 18 122.012 122.012 117.292 4.720 25151 2921 1 19 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.354 0.625 25151 2922 1 19 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.109 -3.227 25151 2923 1 19 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.272 11.790 25151 2924 1 19 . 1 1 18 18 CYS H H 18 9.343 9.343 7.560 1.783 25151 2925 1 19 . 1 1 19 19 CYS N N 19 120.742 120.742 119.790 0.952 25151 2926 1 19 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.530 -0.089 25151 2927 1 19 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.727 -2.962 25151 2928 1 19 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.065 10.576 25151 2929 1 19 . 1 1 19 19 CYS H H 19 9.347 9.347 8.359 0.988 25151 2930 1 19 . 1 1 20 20 ALA N N 20 119.473 119.473 123.937 -4.464 25151 2931 1 19 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 2932 1 19 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.281 1.246 25151 2933 1 19 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.858 1.049 25151 2934 1 19 . 1 1 20 20 ALA H H 20 8.087 8.087 8.580 -0.493 25151 2935 1 19 . 1 1 21 21 ASN N N 21 112.414 112.414 111.441 0.973 25151 2936 1 19 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.308 0.024 25151 2937 1 19 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.523 1.711 25151 2938 1 19 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.814 0.374 25151 2939 1 19 . 1 1 21 21 ASN H H 21 8.660 8.660 8.464 0.196 25151 2940 1 19 . 1 1 22 22 LEU N N 22 121.250 121.250 118.210 3.040 25151 2941 1 19 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.934 1.104 25151 2942 1 19 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.342 -2.264 25151 2943 1 19 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.717 2.401 25151 2944 1 19 . 1 1 22 22 LEU H H 22 8.407 8.407 7.748 0.659 25151 2945 1 19 . 1 1 23 23 VAL N N 23 116.883 116.883 116.541 0.342 25151 2946 1 19 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.344 0.102 25151 2947 1 19 . 1 1 23 23 VAL CA C 23 59.815 59.815 59.919 -0.104 25151 2948 1 19 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.443 0.104 25151 2949 1 19 . 1 1 23 23 VAL H H 23 9.184 9.184 8.044 1.140 25151 2950 1 19 . 1 1 24 24 CYS N N 24 126.988 126.988 127.693 -0.705 25151 2951 1 19 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.235 -0.666 25151 2952 1 19 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.105 -1.224 25151 2953 1 19 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.881 12.464 25151 2954 1 19 . 1 1 24 24 CYS H H 24 9.743 9.743 8.697 1.046 25151 2955 1 19 . 1 1 25 25 SER N N 25 123.484 123.484 122.565 0.919 25151 2956 1 19 . 1 1 25 25 SER HA H 25 4.452 4.452 4.507 -0.055 25151 2957 1 19 . 1 1 25 25 SER CA C 25 57.812 57.812 59.047 -1.235 25151 2958 1 19 . 1 1 25 25 SER CB C 25 63.906 63.906 64.621 -0.715 25151 2959 1 19 . 1 1 25 25 SER H H 25 8.338 8.338 8.554 -0.216 25151 2960 1 19 . 1 1 26 26 SER N N 26 125.516 125.516 124.051 1.465 25151 2961 1 19 . 1 1 26 26 SER HA H 26 3.868 3.868 4.381 -0.513 25151 2962 1 19 . 1 1 26 26 SER CA C 26 64.609 64.609 60.328 4.281 25151 2963 1 19 . 1 1 26 26 SER CB C 26 62.477 62.477 63.153 -0.676 25151 2964 1 19 . 1 1 26 26 SER H H 26 8.983 8.983 8.933 0.050 25151 2965 1 19 . 1 1 27 27 LYS N N 27 119.269 119.269 121.029 -1.760 25151 2966 1 19 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.245 -0.205 25151 2967 1 19 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.765 0.074 25151 2968 1 19 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.904 0.299 25151 2969 1 19 . 1 1 27 27 LYS H H 27 7.650 7.650 7.576 0.074 25151 2970 1 19 . 1 1 28 28 HIS N N 28 112.008 112.008 115.965 -3.957 25151 2971 1 19 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.283 -0.161 25151 2972 1 19 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.731 -1.295 25151 2973 1 19 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.910 -1.637 25151 2974 1 19 . 1 1 28 28 HIS H H 28 6.929 6.929 7.651 -0.722 25151 2975 1 19 . 1 1 29 29 LYS N N 29 115.258 115.258 116.765 -1.507 25151 2976 1 19 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.166 -0.328 25151 2977 1 19 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.146 0.666 25151 2978 1 19 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.023 -2.210 25151 2979 1 19 . 1 1 29 29 LYS H H 29 8.153 8.153 8.234 -0.081 25151 2980 1 19 . 1 1 30 30 TRP N N 30 112.008 112.008 115.224 -3.216 25151 2981 1 19 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.299 0.503 25151 2982 1 19 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.829 0.499 25151 2983 1 19 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.273 0.845 25151 2984 1 19 . 1 1 30 30 TRP H H 30 6.910 6.910 8.062 -1.152 25151 2985 1 19 . 1 1 31 31 CYS N N 31 120.387 120.387 122.469 -2.082 25151 2986 1 19 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.016 -0.033 25151 2987 1 19 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.516 -3.736 25151 2988 1 19 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.941 14.617 25151 2989 1 19 . 1 1 31 31 CYS H H 31 8.581 8.581 8.755 -0.174 25151 2990 1 19 . 1 1 32 32 LYS N N 32 122.824 122.824 124.507 -1.683 25151 2991 1 19 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.825 0.655 25151 2992 1 19 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.210 0.566 25151 2993 1 19 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.705 0.436 25151 2994 1 19 . 1 1 32 32 LYS H H 32 9.326 9.326 8.396 0.930 25151 2995 1 19 . 1 1 33 33 GLY N N 33 106.828 106.828 105.958 0.870 25151 2996 1 19 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.956 1.898 25151 2997 1 19 . 1 1 33 33 GLY H H 33 8.424 8.424 8.204 0.220 25151 2998 1 19 . 1 1 34 34 LYS N N 34 122.367 122.367 124.687 -2.320 25151 2999 1 19 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.222 -0.137 25151 3000 1 19 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.520 1.291 25151 3001 1 19 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.884 0.587 25151 3002 1 19 . 1 1 34 34 LYS H H 34 8.123 8.123 8.402 -0.279 25151 3003 1 20 . 1 1 2 2 ASN N N 2 118.762 118.762 119.445 -0.683 25151 3004 1 20 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.901 -0.082 25151 3005 1 20 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.530 0.680 25151 3006 1 20 . 1 1 2 2 ASN CB C 2 39.095 39.095 40.042 -0.947 25151 3007 1 20 . 1 1 2 2 ASN H H 2 8.792 8.792 8.122 0.670 25151 3008 1 20 . 1 1 3 3 ASP N N 3 120.996 120.996 122.180 -1.184 25151 3009 1 20 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.810 -0.160 25151 3010 1 20 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.619 0.476 25151 3011 1 20 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.383 -0.492 25151 3012 1 20 . 1 1 3 3 ASP H H 3 8.549 8.549 8.467 0.082 25151 3013 1 20 . 1 1 4 4 CYS N N 4 115.969 115.969 117.019 -1.050 25151 3014 1 20 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.325 -0.444 25151 3015 1 20 . 1 1 4 4 CYS CA C 4 54.434 54.434 55.984 -1.550 25151 3016 1 20 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.464 12.971 25151 3017 1 20 . 1 1 4 4 CYS H H 4 8.054 8.054 8.327 -0.273 25151 3018 1 20 . 1 1 5 5 LEU N N 5 121.566 121.566 120.187 1.379 25151 3019 1 20 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.724 -0.293 25151 3020 1 20 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.498 1.033 25151 3021 1 20 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.893 -1.612 25151 3022 1 20 . 1 1 5 5 LEU H H 5 8.540 8.540 8.316 0.224 25151 3023 1 20 . 1 1 6 6 GLY N N 6 108.453 108.453 107.960 0.493 25151 3024 1 20 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.123 -0.842 25151 3025 1 20 . 1 1 6 6 GLY H H 6 8.235 8.235 8.219 0.016 25151 3026 1 20 . 1 1 7 7 PHE N N 7 118.965 118.965 120.006 -1.041 25151 3027 1 20 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.167 -0.759 25151 3028 1 20 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.998 2.608 25151 3029 1 20 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.553 -1.022 25151 3030 1 20 . 1 1 7 7 PHE H H 7 8.202 8.202 8.204 -0.002 25151 3031 1 20 . 1 1 8 8 TRP N N 8 120.031 120.031 120.326 -0.295 25151 3032 1 20 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.811 0.028 25151 3033 1 20 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.236 0.811 25151 3034 1 20 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.489 0.311 25151 3035 1 20 . 1 1 8 8 TRP H H 8 9.067 9.067 7.974 1.093 25151 3036 1 20 . 1 1 9 9 SER N N 9 117.187 117.187 115.682 1.505 25151 3037 1 20 . 1 1 9 9 SER HA H 9 4.445 4.445 4.735 -0.290 25151 3038 1 20 . 1 1 9 9 SER CA C 9 59.703 59.703 57.037 2.666 25151 3039 1 20 . 1 1 9 9 SER CB C 9 64.804 64.804 64.094 0.710 25151 3040 1 20 . 1 1 9 9 SER H H 9 8.165 8.165 7.568 0.597 25151 3041 1 20 . 1 1 10 10 ALA N N 10 127.547 127.547 129.771 -2.224 25151 3042 1 20 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.469 0.445 25151 3043 1 20 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.941 0.181 25151 3044 1 20 . 1 1 10 10 ALA CB C 10 18.895 18.895 18.997 -0.102 25151 3045 1 20 . 1 1 10 10 ALA H H 10 8.713 8.713 8.840 -0.127 25151 3046 1 20 . 1 1 11 11 CYS N N 11 116.934 116.934 118.016 -1.082 25151 3047 1 20 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.641 0.158 25151 3048 1 20 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.670 -2.607 25151 3049 1 20 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.599 15.173 25151 3050 1 20 . 1 1 11 11 CYS H H 11 8.200 8.200 8.266 -0.066 25151 3051 1 20 . 1 1 12 12 ASN N N 12 119.371 119.371 119.313 0.058 25151 3052 1 20 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.170 -0.045 25151 3053 1 20 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.133 -1.696 25151 3054 1 20 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.937 -0.703 25151 3055 1 20 . 1 1 12 12 ASN H H 12 9.125 9.125 8.421 0.704 25151 3056 1 20 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.464 -0.487 25151 3057 1 20 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.183 -2.855 25151 3058 1 20 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.411 -0.380 25151 3059 1 20 . 1 1 14 14 LYS N N 14 113.430 113.430 117.215 -3.785 25151 3060 1 20 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.410 -0.182 25151 3061 1 20 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.596 -0.231 25151 3062 1 20 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.730 -0.464 25151 3063 1 20 . 1 1 14 14 LYS H H 14 7.648 7.648 8.177 -0.529 25151 3064 1 20 . 1 1 15 15 ASN N N 15 119.066 119.066 117.991 1.075 25151 3065 1 20 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.781 -0.139 25151 3066 1 20 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.639 -0.010 25151 3067 1 20 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.364 -1.473 25151 3068 1 20 . 1 1 15 15 ASN H H 15 7.562 7.562 7.781 -0.219 25151 3069 1 20 . 1 1 16 16 ASP N N 16 124.551 124.551 123.962 0.589 25151 3070 1 20 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.593 -0.458 25151 3071 1 20 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.717 1.185 25151 3072 1 20 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.519 1.411 25151 3073 1 20 . 1 1 16 16 ASP H H 16 8.618 8.618 8.392 0.226 25151 3074 1 20 . 1 1 17 17 LYS N N 17 127.750 127.750 124.785 2.965 25151 3075 1 20 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.578 0.091 25151 3076 1 20 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.161 -1.067 25151 3077 1 20 . 1 1 17 17 LYS H H 17 7.913 7.913 8.490 -0.577 25151 3078 1 20 . 1 1 18 18 CYS N N 18 122.012 122.012 117.225 4.787 25151 3079 1 20 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.351 0.628 25151 3080 1 20 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.130 -3.248 25151 3081 1 20 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.335 11.727 25151 3082 1 20 . 1 1 18 18 CYS H H 18 9.343 9.343 7.552 1.791 25151 3083 1 20 . 1 1 19 19 CYS N N 19 120.742 120.742 119.838 0.904 25151 3084 1 20 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.530 -0.089 25151 3085 1 20 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.731 -2.966 25151 3086 1 20 . 1 1 19 19 CYS CB C 19 41.641 41.641 31.024 10.617 25151 3087 1 20 . 1 1 19 19 CYS H H 19 9.347 9.347 8.423 0.924 25151 3088 1 20 . 1 1 20 20 ALA N N 20 119.473 119.473 123.936 -4.463 25151 3089 1 20 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.944 0.172 25151 3090 1 20 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.269 1.258 25151 3091 1 20 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.853 1.054 25151 3092 1 20 . 1 1 20 20 ALA H H 20 8.087 8.087 8.582 -0.495 25151 3093 1 20 . 1 1 21 21 ASN N N 21 112.414 112.414 111.474 0.940 25151 3094 1 20 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.305 0.027 25151 3095 1 20 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.544 1.690 25151 3096 1 20 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.846 0.342 25151 3097 1 20 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 3098 1 20 . 1 1 22 22 LEU N N 22 121.250 121.250 118.074 3.176 25151 3099 1 20 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.914 1.124 25151 3100 1 20 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.384 -2.306 25151 3101 1 20 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.485 2.633 25151 3102 1 20 . 1 1 22 22 LEU H H 22 8.407 8.407 7.762 0.645 25151 3103 1 20 . 1 1 23 23 VAL N N 23 116.883 116.883 116.954 -0.071 25151 3104 1 20 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.316 0.130 25151 3105 1 20 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.124 -0.309 25151 3106 1 20 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.686 -0.139 25151 3107 1 20 . 1 1 23 23 VAL H H 23 9.184 9.184 8.027 1.157 25151 3108 1 20 . 1 1 24 24 CYS N N 24 126.988 126.988 128.188 -1.200 25151 3109 1 20 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.201 -0.632 25151 3110 1 20 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.212 -1.331 25151 3111 1 20 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.830 12.515 25151 3112 1 20 . 1 1 24 24 CYS H H 24 9.743 9.743 8.661 1.082 25151 3113 1 20 . 1 1 25 25 SER N N 25 123.484 123.484 122.628 0.856 25151 3114 1 20 . 1 1 25 25 SER HA H 25 4.452 4.452 4.520 -0.068 25151 3115 1 20 . 1 1 25 25 SER CA C 25 57.812 57.812 59.055 -1.243 25151 3116 1 20 . 1 1 25 25 SER CB C 25 63.906 63.906 64.330 -0.424 25151 3117 1 20 . 1 1 25 25 SER H H 25 8.338 8.338 8.619 -0.281 25151 3118 1 20 . 1 1 26 26 SER N N 26 125.516 125.516 125.462 0.054 25151 3119 1 20 . 1 1 26 26 SER HA H 26 3.868 3.868 4.335 -0.467 25151 3120 1 20 . 1 1 26 26 SER CA C 26 64.609 64.609 60.246 4.363 25151 3121 1 20 . 1 1 26 26 SER CB C 26 62.477 62.477 63.061 -0.584 25151 3122 1 20 . 1 1 26 26 SER H H 26 8.983 8.983 8.881 0.102 25151 3123 1 20 . 1 1 27 27 LYS N N 27 119.269 119.269 121.536 -2.267 25151 3124 1 20 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.302 -0.262 25151 3125 1 20 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.545 0.293 25151 3126 1 20 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.706 0.497 25151 3127 1 20 . 1 1 27 27 LYS H H 27 7.650 7.650 7.575 0.075 25151 3128 1 20 . 1 1 28 28 HIS N N 28 112.008 112.008 116.137 -4.129 25151 3129 1 20 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.210 -0.088 25151 3130 1 20 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.861 -1.425 25151 3131 1 20 . 1 1 28 28 HIS CB C 28 28.273 28.273 30.176 -1.903 25151 3132 1 20 . 1 1 28 28 HIS H H 28 6.929 6.929 7.828 -0.899 25151 3133 1 20 . 1 1 29 29 LYS N N 29 115.258 115.258 116.751 -1.493 25151 3134 1 20 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.167 -0.329 25151 3135 1 20 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.132 0.680 25151 3136 1 20 . 1 1 29 29 LYS CB C 29 27.813 27.813 30.040 -2.227 25151 3137 1 20 . 1 1 29 29 LYS H H 29 8.153 8.153 8.232 -0.079 25151 3138 1 20 . 1 1 30 30 TRP N N 30 112.008 112.008 115.215 -3.207 25151 3139 1 20 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.299 0.503 25151 3140 1 20 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.833 0.495 25151 3141 1 20 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.272 0.846 25151 3142 1 20 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 3143 1 20 . 1 1 31 31 CYS N N 31 120.387 120.387 122.475 -2.088 25151 3144 1 20 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.016 -0.033 25151 3145 1 20 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.525 -3.746 25151 3146 1 20 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.945 14.613 25151 3147 1 20 . 1 1 31 31 CYS H H 31 8.581 8.581 8.755 -0.174 25151 3148 1 20 . 1 1 32 32 LYS N N 32 122.824 122.824 124.502 -1.678 25151 3149 1 20 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.822 0.658 25151 3150 1 20 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.207 0.569 25151 3151 1 20 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.699 0.442 25151 3152 1 20 . 1 1 32 32 LYS H H 32 9.326 9.326 8.396 0.930 25151 3153 1 20 . 1 1 33 33 GLY N N 33 106.828 106.828 105.990 0.838 25151 3154 1 20 . 1 1 33 33 GLY CA C 33 45.854 45.854 44.301 1.552 25151 3155 1 20 . 1 1 33 33 GLY H H 33 8.424 8.424 8.192 0.232 25151 3156 1 20 . 1 1 34 34 LYS N N 34 122.367 122.367 124.734 -2.367 25151 3157 1 20 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.247 -0.162 25151 3158 1 20 . 1 1 34 34 LYS CA C 34 57.811 57.811 55.420 2.391 25151 3159 1 20 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.670 0.801 25151 3160 1 20 . 1 1 34 34 LYS H H 34 8.123 8.123 8.262 -0.139 25151 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 32 2.216 0.305 2.230 25151 2 1 1 "Average Difference" HA 35 0.384 0.045 0.386 25151 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25151 4 1 1 "Average Difference" CA 32 1.905 0.196 1.925 25151 5 1 1 "Average Difference" CB 31 5.775 -2.363 5.357 25151 6 1 1 "Average Difference" HN 32 0.646 -0.179 0.631 25151 7 1 2 "Average Difference" N 32 2.087 0.361 2.088 25151 8 1 2 "Average Difference" HA 35 0.376 0.057 0.377 25151 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25151 10 1 2 "Average Difference" CA 32 1.944 0.207 1.964 25151 11 1 2 "Average Difference" CB 31 5.814 -2.370 5.397 25151 12 1 2 "Average Difference" HN 32 0.643 -0.176 0.628 25151 13 1 3 "Average Difference" N 32 2.158 0.339 2.165 25151 14 1 3 "Average Difference" HA 35 0.378 0.037 0.382 25151 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25151 16 1 3 "Average Difference" CA 32 1.925 0.214 1.943 25151 17 1 3 "Average Difference" CB 31 5.859 -2.378 5.443 25151 18 1 3 "Average Difference" HN 32 0.638 -0.158 0.628 25151 19 1 4 "Average Difference" N 32 2.163 0.462 2.147 25151 20 1 4 "Average Difference" HA 35 0.389 0.052 0.391 25151 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25151 22 1 4 "Average Difference" CA 32 1.926 0.211 1.945 25151 23 1 4 "Average Difference" CB 31 5.833 -2.325 5.438 25151 24 1 4 "Average Difference" HN 32 0.632 -0.159 0.622 25151 25 1 5 "Average Difference" N 32 2.204 0.345 2.211 25151 26 1 5 "Average Difference" HA 35 0.369 0.024 0.374 25151 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25151 28 1 5 "Average Difference" CA 32 1.895 0.282 1.904 25151 29 1 5 "Average Difference" CB 31 5.844 -2.432 5.402 25151 30 1 5 "Average Difference" HN 32 0.633 -0.173 0.619 25151 31 1 6 "Average Difference" N 32 2.195 0.410 2.191 25151 32 1 6 "Average Difference" HA 35 0.372 0.037 0.376 25151 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25151 34 1 6 "Average Difference" CA 32 1.900 0.256 1.912 25151 35 1 6 "Average Difference" CB 31 5.834 -2.419 5.397 25151 36 1 6 "Average Difference" HN 32 0.646 -0.179 0.630 25151 37 1 7 "Average Difference" N 32 2.199 0.442 2.188 25151 38 1 7 "Average Difference" HA 35 0.387 0.055 0.389 25151 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25151 40 1 7 "Average Difference" CA 32 1.906 0.161 1.929 25151 41 1 7 "Average Difference" CB 31 5.778 -2.376 5.354 25151 42 1 7 "Average Difference" HN 32 0.637 -0.161 0.626 25151 43 1 8 "Average Difference" N 32 2.161 0.509 2.134 25151 44 1 8 "Average Difference" HA 35 0.373 0.040 0.376 25151 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25151 46 1 8 "Average Difference" CA 32 1.858 0.161 1.881 25151 47 1 8 "Average Difference" CB 31 5.827 -2.438 5.381 25151 48 1 8 "Average Difference" HN 32 0.637 -0.160 0.626 25151 49 1 9 "Average Difference" N 32 2.063 0.367 2.062 25151 50 1 9 "Average Difference" HA 35 0.374 0.046 0.377 25151 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25151 52 1 9 "Average Difference" CA 32 1.836 0.182 1.856 25151 53 1 9 "Average Difference" CB 31 5.834 -2.340 5.432 25151 54 1 9 "Average Difference" HN 32 0.649 -0.169 0.637 25151 55 1 10 "Average Difference" N 32 2.186 0.355 2.191 25151 56 1 10 "Average Difference" HA 35 0.377 0.044 0.380 25151 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25151 58 1 10 "Average Difference" CA 32 1.895 0.150 1.919 25151 59 1 10 "Average Difference" CB 31 5.829 -2.385 5.407 25151 60 1 10 "Average Difference" HN 32 0.641 -0.175 0.626 25151 61 1 11 "Average Difference" N 32 2.193 0.360 2.198 25151 62 1 11 "Average Difference" HA 35 0.369 0.039 0.372 25151 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25151 64 1 11 "Average Difference" CA 32 1.892 0.194 1.912 25151 65 1 11 "Average Difference" CB 31 5.856 -2.385 5.437 25151 66 1 11 "Average Difference" HN 32 0.642 -0.165 0.630 25151 67 1 12 "Average Difference" N 32 2.314 0.519 2.291 25151 68 1 12 "Average Difference" HA 35 0.369 0.037 0.372 25151 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25151 70 1 12 "Average Difference" CA 32 1.849 0.214 1.866 25151 71 1 12 "Average Difference" CB 31 5.883 -2.410 5.455 25151 72 1 12 "Average Difference" HN 32 0.646 -0.185 0.629 25151 73 1 13 "Average Difference" N 32 2.111 0.257 2.129 25151 74 1 13 "Average Difference" HA 35 0.376 0.044 0.379 25151 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25151 76 1 13 "Average Difference" CA 32 1.882 0.180 1.903 25151 77 1 13 "Average Difference" CB 31 5.848 -2.381 5.429 25151 78 1 13 "Average Difference" HN 32 0.649 -0.186 0.632 25151 79 1 14 "Average Difference" N 32 2.227 0.483 2.209 25151 80 1 14 "Average Difference" HA 35 0.385 0.047 0.388 25151 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25151 82 1 14 "Average Difference" CA 32 1.905 0.200 1.925 25151 83 1 14 "Average Difference" CB 31 5.804 -2.382 5.380 25151 84 1 14 "Average Difference" HN 32 0.656 -0.172 0.643 25151 85 1 15 "Average Difference" N 32 2.219 0.321 2.230 25151 86 1 15 "Average Difference" HA 35 0.373 0.041 0.376 25151 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25151 88 1 15 "Average Difference" CA 32 1.859 0.163 1.882 25151 89 1 15 "Average Difference" CB 31 5.825 -2.367 5.410 25151 90 1 15 "Average Difference" HN 32 0.641 -0.169 0.628 25151 91 1 16 "Average Difference" N 32 2.095 0.324 2.103 25151 92 1 16 "Average Difference" HA 35 0.378 0.046 0.381 25151 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25151 94 1 16 "Average Difference" CA 32 1.936 0.135 1.962 25151 95 1 16 "Average Difference" CB 31 5.847 -2.393 5.423 25151 96 1 16 "Average Difference" HN 32 0.636 -0.168 0.623 25151 97 1 17 "Average Difference" N 32 2.240 0.459 2.228 25151 98 1 17 "Average Difference" HA 35 0.377 0.042 0.380 25151 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25151 100 1 17 "Average Difference" CA 32 1.907 0.157 1.931 25151 101 1 17 "Average Difference" CB 31 5.815 -2.380 5.394 25151 102 1 17 "Average Difference" HN 32 0.641 -0.170 0.628 25151 103 1 18 "Average Difference" N 32 2.234 0.442 2.225 25151 104 1 18 "Average Difference" HA 35 0.369 0.046 0.371 25151 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25151 106 1 18 "Average Difference" CA 32 1.898 0.132 1.924 25151 107 1 18 "Average Difference" CB 31 5.794 -2.417 5.353 25151 108 1 18 "Average Difference" HN 32 0.634 -0.169 0.621 25151 109 1 19 "Average Difference" N 32 2.118 0.270 2.134 25151 110 1 19 "Average Difference" HA 35 0.380 0.054 0.381 25151 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25151 112 1 19 "Average Difference" CA 32 1.903 0.171 1.925 25151 113 1 19 "Average Difference" CB 31 5.835 -2.349 5.429 25151 114 1 19 "Average Difference" HN 32 0.657 -0.187 0.640 25151 115 1 20 "Average Difference" N 32 2.123 0.459 2.106 25151 116 1 20 "Average Difference" HA 35 0.378 0.042 0.381 25151 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25151 118 1 20 "Average Difference" CA 32 1.901 0.107 1.928 25151 119 1 20 "Average Difference" CB 31 5.819 -2.359 5.407 25151 120 1 20 "Average Difference" HN 32 0.658 -0.179 0.643 25151 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25151 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN N N 2 118.762 118.762 119.833 -1.071 25151 2 1 . 1 1 2 2 ASN HA H 2 4.819 4.819 4.854 -0.035 25151 3 1 . 1 1 2 2 ASN CA C 2 53.210 53.210 52.898 0.312 25151 4 1 . 1 1 2 2 ASN CB C 2 39.095 39.095 39.780 -0.685 25151 5 1 . 1 1 2 2 ASN H H 2 8.792 8.792 8.285 0.507 25151 6 1 . 1 1 3 3 ASP N N 3 120.996 120.996 121.660 -0.664 25151 7 1 . 1 1 3 3 ASP HA H 3 4.650 4.650 4.878 -0.228 25151 8 1 . 1 1 3 3 ASP CA C 3 54.095 54.095 53.847 0.248 25151 9 1 . 1 1 3 3 ASP CB C 3 40.891 40.891 41.561 -0.670 25151 10 1 . 1 1 3 3 ASP H H 3 8.549 8.549 8.482 0.067 25151 11 1 . 1 1 4 4 CYS N N 4 115.969 115.969 116.695 -0.726 25151 12 1 . 1 1 4 4 CYS HA H 4 4.881 4.881 5.303 -0.422 25151 13 1 . 1 1 4 4 CYS CA C 4 54.434 54.434 56.764 -2.330 25151 14 1 . 1 1 4 4 CYS CB C 4 43.435 43.435 30.378 13.057 25151 15 1 . 1 1 4 4 CYS H H 4 8.054 8.054 8.325 -0.271 25151 16 1 . 1 1 5 5 LEU N N 5 121.566 121.566 120.284 1.282 25151 17 1 . 1 1 5 5 LEU HA H 5 4.431 4.431 4.726 -0.295 25151 18 1 . 1 1 5 5 LEU CA C 5 54.531 54.531 53.516 1.015 25151 19 1 . 1 1 5 5 LEU CB C 5 43.281 43.281 44.868 -1.587 25151 20 1 . 1 1 5 5 LEU H H 5 8.540 8.540 8.332 0.208 25151 21 1 . 1 1 6 6 GLY N N 6 108.453 108.453 107.901 0.552 25151 22 1 . 1 1 6 6 GLY CA C 6 43.281 43.281 44.128 -0.847 25151 23 1 . 1 1 6 6 GLY H H 6 8.235 8.235 8.207 0.028 25151 24 1 . 1 1 7 7 PHE N N 7 118.965 118.965 120.021 -1.056 25151 25 1 . 1 1 7 7 PHE HA H 7 3.408 3.408 4.183 -0.775 25151 26 1 . 1 1 7 7 PHE CA C 7 60.606 60.606 57.950 2.656 25151 27 1 . 1 1 7 7 PHE CB C 7 39.531 39.531 40.610 -1.079 25151 28 1 . 1 1 7 7 PHE H H 7 8.202 8.202 8.214 -0.012 25151 29 1 . 1 1 8 8 TRP N N 8 120.031 120.031 119.654 0.377 25151 30 1 . 1 1 8 8 TRP HA H 8 3.839 3.839 3.807 0.032 25151 31 1 . 1 1 8 8 TRP CA C 8 58.047 58.047 57.376 0.671 25151 32 1 . 1 1 8 8 TRP CB C 8 27.800 27.800 27.471 0.329 25151 33 1 . 1 1 8 8 TRP H H 8 9.067 9.067 8.046 1.021 25151 34 1 . 1 1 9 9 SER N N 9 117.187 117.187 115.429 1.758 25151 35 1 . 1 1 9 9 SER HA H 9 4.445 4.445 4.724 -0.279 25151 36 1 . 1 1 9 9 SER CA C 9 59.703 59.703 57.145 2.558 25151 37 1 . 1 1 9 9 SER CB C 9 64.804 64.804 64.240 0.564 25151 38 1 . 1 1 9 9 SER H H 9 8.165 8.165 7.583 0.582 25151 39 1 . 1 1 10 10 ALA N N 10 127.547 127.547 129.610 -2.063 25151 40 1 . 1 1 10 10 ALA HA H 10 4.914 4.914 4.469 0.446 25151 41 1 . 1 1 10 10 ALA CA C 10 53.122 53.122 52.874 0.248 25151 42 1 . 1 1 10 10 ALA CB C 10 18.895 18.895 19.069 -0.174 25151 43 1 . 1 1 10 10 ALA H H 10 8.713 8.713 8.794 -0.081 25151 44 1 . 1 1 11 11 CYS N N 11 116.934 116.934 118.160 -1.226 25151 45 1 . 1 1 11 11 CYS HA H 11 4.799 4.799 4.676 0.123 25151 46 1 . 1 1 11 11 CYS CA C 11 54.064 54.064 56.762 -2.698 25151 47 1 . 1 1 11 11 CYS CB C 11 45.772 45.772 30.556 15.216 25151 48 1 . 1 1 11 11 CYS H H 11 8.200 8.200 8.239 -0.040 25151 49 1 . 1 1 12 12 ASN N N 12 119.371 119.371 119.200 0.171 25151 50 1 . 1 1 12 12 ASN HA H 12 5.125 5.125 5.170 -0.045 25151 51 1 . 1 1 12 12 ASN CA C 12 48.437 48.437 50.177 -1.740 25151 52 1 . 1 1 12 12 ASN CB C 12 40.234 40.234 40.972 -0.738 25151 53 1 . 1 1 12 12 ASN H H 12 9.125 9.125 8.395 0.730 25151 54 1 . 1 1 13 13 PRO HA H 13 3.977 3.977 4.465 -0.488 25151 55 1 . 1 1 13 13 PRO CA C 13 61.328 61.328 64.166 -2.838 25151 56 1 . 1 1 13 13 PRO CB C 13 32.031 32.031 32.415 -0.384 25151 57 1 . 1 1 14 14 LYS N N 14 113.430 113.430 117.368 -3.938 25151 58 1 . 1 1 14 14 LYS HA H 14 4.228 4.228 4.397 -0.169 25151 59 1 . 1 1 14 14 LYS CA C 14 56.365 56.365 56.628 -0.263 25151 60 1 . 1 1 14 14 LYS CB C 14 32.266 32.266 32.694 -0.428 25151 61 1 . 1 1 14 14 LYS H H 14 7.648 7.648 8.187 -0.539 25151 62 1 . 1 1 15 15 ASN N N 15 119.066 119.066 117.842 1.224 25151 63 1 . 1 1 15 15 ASN HA H 15 4.642 4.642 4.792 -0.150 25151 64 1 . 1 1 15 15 ASN CA C 15 52.629 52.629 52.505 0.124 25151 65 1 . 1 1 15 15 ASN CB C 15 37.891 37.891 39.208 -1.317 25151 66 1 . 1 1 15 15 ASN H H 15 7.562 7.562 7.757 -0.195 25151 67 1 . 1 1 16 16 ASP N N 16 124.551 124.551 124.007 0.544 25151 68 1 . 1 1 16 16 ASP HA H 16 4.135 4.135 4.588 -0.453 25151 69 1 . 1 1 16 16 ASP CA C 16 55.902 55.902 54.674 1.228 25151 70 1 . 1 1 16 16 ASP CB C 16 41.930 41.930 40.571 1.359 25151 71 1 . 1 1 16 16 ASP H H 16 8.618 8.618 8.396 0.222 25151 72 1 . 1 1 17 17 LYS N N 17 127.750 127.750 124.711 3.039 25151 73 1 . 1 1 17 17 LYS HA H 17 4.669 4.669 4.578 0.091 25151 74 1 . 1 1 17 17 LYS CB C 17 31.094 31.094 32.043 -0.949 25151 75 1 . 1 1 17 17 LYS H H 17 7.913 7.913 8.481 -0.568 25151 76 1 . 1 1 18 18 CYS N N 18 122.012 122.012 117.263 4.749 25151 77 1 . 1 1 18 18 CYS HA H 18 4.979 4.979 4.352 0.627 25151 78 1 . 1 1 18 18 CYS CA C 18 56.883 56.883 60.118 -3.235 25151 79 1 . 1 1 18 18 CYS CB C 18 39.062 39.062 27.347 11.715 25151 80 1 . 1 1 18 18 CYS H H 18 9.343 9.343 7.567 1.776 25151 81 1 . 1 1 19 19 CYS N N 19 120.742 120.742 119.890 0.852 25151 82 1 . 1 1 19 19 CYS HA H 19 4.441 4.441 4.531 -0.090 25151 83 1 . 1 1 19 19 CYS CA C 19 54.765 54.765 57.791 -3.026 25151 84 1 . 1 1 19 19 CYS CB C 19 41.641 41.641 30.979 10.662 25151 85 1 . 1 1 19 19 CYS H H 19 9.347 9.347 8.386 0.961 25151 86 1 . 1 1 20 20 ALA N N 20 119.473 119.473 123.924 -4.451 25151 87 1 . 1 1 20 20 ALA HA H 20 4.116 4.116 3.946 0.170 25151 88 1 . 1 1 20 20 ALA CA C 20 54.527 54.527 53.271 1.256 25151 89 1 . 1 1 20 20 ALA CB C 20 18.907 18.907 17.876 1.031 25151 90 1 . 1 1 20 20 ALA H H 20 8.087 8.087 8.579 -0.492 25151 91 1 . 1 1 21 21 ASN N N 21 112.414 112.414 111.452 0.963 25151 92 1 . 1 1 21 21 ASN HA H 21 4.332 4.332 4.305 0.027 25151 93 1 . 1 1 21 21 ASN CA C 21 55.234 55.234 53.524 1.710 25151 94 1 . 1 1 21 21 ASN CB C 21 37.188 37.188 36.775 0.413 25151 95 1 . 1 1 21 21 ASN H H 21 8.660 8.660 8.467 0.193 25151 96 1 . 1 1 22 22 LEU N N 22 121.250 121.250 118.115 3.135 25151 97 1 . 1 1 22 22 LEU HA H 22 5.038 5.038 3.924 1.114 25151 98 1 . 1 1 22 22 LEU CA C 22 53.078 53.078 55.378 -2.300 25151 99 1 . 1 1 22 22 LEU CB C 22 45.118 45.118 42.604 2.514 25151 100 1 . 1 1 22 22 LEU H H 22 8.407 8.407 7.763 0.644 25151 101 1 . 1 1 23 23 VAL N N 23 116.883 116.883 116.963 -0.080 25151 102 1 . 1 1 23 23 VAL HA H 23 4.446 4.446 4.329 0.117 25151 103 1 . 1 1 23 23 VAL CA C 23 59.815 59.815 60.028 -0.213 25151 104 1 . 1 1 23 23 VAL CB C 23 35.547 35.547 35.547 -0.000 25151 105 1 . 1 1 23 23 VAL H H 23 9.184 9.184 8.043 1.141 25151 106 1 . 1 1 24 24 CYS N N 24 126.988 126.988 128.057 -1.069 25151 107 1 . 1 1 24 24 CYS HA H 24 4.569 4.569 5.183 -0.614 25151 108 1 . 1 1 24 24 CYS CA C 24 55.881 55.881 57.138 -1.257 25151 109 1 . 1 1 24 24 CYS CB C 24 38.345 38.345 25.794 12.551 25151 110 1 . 1 1 24 24 CYS H H 24 9.743 9.743 8.713 1.030 25151 111 1 . 1 1 25 25 SER N N 25 123.484 123.484 122.714 0.770 25151 112 1 . 1 1 25 25 SER HA H 25 4.452 4.452 4.513 -0.061 25151 113 1 . 1 1 25 25 SER CA C 25 57.812 57.812 59.053 -1.241 25151 114 1 . 1 1 25 25 SER CB C 25 63.906 63.906 64.376 -0.470 25151 115 1 . 1 1 25 25 SER H H 25 8.338 8.338 8.603 -0.265 25151 116 1 . 1 1 26 26 SER N N 26 125.516 125.516 124.536 0.980 25151 117 1 . 1 1 26 26 SER HA H 26 3.868 3.868 4.320 -0.452 25151 118 1 . 1 1 26 26 SER CA C 26 64.609 64.609 60.489 4.120 25151 119 1 . 1 1 26 26 SER CB C 26 62.477 62.477 63.013 -0.536 25151 120 1 . 1 1 26 26 SER H H 26 8.983 8.983 8.929 0.054 25151 121 1 . 1 1 27 27 LYS N N 27 119.269 119.269 121.327 -2.058 25151 122 1 . 1 1 27 27 LYS HA H 27 4.040 4.040 4.256 -0.216 25151 123 1 . 1 1 27 27 LYS CA C 27 57.839 57.839 57.721 0.118 25151 124 1 . 1 1 27 27 LYS CB C 27 33.203 33.203 32.719 0.484 25151 125 1 . 1 1 27 27 LYS H H 27 7.650 7.650 7.535 0.115 25151 126 1 . 1 1 28 28 HIS N N 28 112.008 112.008 116.287 -4.279 25151 127 1 . 1 1 28 28 HIS HA H 28 4.122 4.122 4.217 -0.095 25151 128 1 . 1 1 28 28 HIS CA C 28 55.436 55.436 56.914 -1.478 25151 129 1 . 1 1 28 28 HIS CB C 28 28.273 28.273 29.905 -1.632 25151 130 1 . 1 1 28 28 HIS H H 28 6.929 6.929 7.729 -0.799 25151 131 1 . 1 1 29 29 LYS N N 29 115.258 115.258 116.701 -1.443 25151 132 1 . 1 1 29 29 LYS HA H 29 3.838 3.838 4.178 -0.340 25151 133 1 . 1 1 29 29 LYS CA C 29 57.812 57.812 57.092 0.720 25151 134 1 . 1 1 29 29 LYS CB C 29 27.813 27.813 29.977 -2.164 25151 135 1 . 1 1 29 29 LYS H H 29 8.153 8.153 8.229 -0.076 25151 136 1 . 1 1 30 30 TRP N N 30 112.008 112.008 115.195 -3.187 25151 137 1 . 1 1 30 30 TRP HA H 30 5.802 5.802 5.289 0.513 25151 138 1 . 1 1 30 30 TRP CA C 30 54.328 54.328 53.834 0.494 25151 139 1 . 1 1 30 30 TRP CB C 30 31.118 31.118 30.274 0.844 25151 140 1 . 1 1 30 30 TRP H H 30 6.910 6.910 8.063 -1.153 25151 141 1 . 1 1 31 31 CYS N N 31 120.387 120.387 122.479 -2.092 25151 142 1 . 1 1 31 31 CYS HA H 31 4.983 4.983 5.006 -0.023 25151 143 1 . 1 1 31 31 CYS CA C 31 54.779 54.779 58.539 -3.760 25151 144 1 . 1 1 31 31 CYS CB C 31 39.558 39.558 24.938 14.620 25151 145 1 . 1 1 31 31 CYS H H 31 8.581 8.581 8.759 -0.178 25151 146 1 . 1 1 32 32 LYS N N 32 122.824 122.824 124.530 -1.706 25151 147 1 . 1 1 32 32 LYS HA H 32 4.480 4.480 3.836 0.644 25151 148 1 . 1 1 32 32 LYS CA C 32 53.776 53.776 53.222 0.554 25151 149 1 . 1 1 32 32 LYS CB C 32 34.141 34.141 33.713 0.428 25151 150 1 . 1 1 32 32 LYS H H 32 9.326 9.326 8.409 0.917 25151 151 1 . 1 1 33 33 GLY N N 33 106.828 106.828 105.964 0.864 25151 152 1 . 1 1 33 33 GLY CA C 33 45.854 45.854 43.987 1.867 25151 153 1 . 1 1 33 33 GLY H H 33 8.424 8.424 8.217 0.207 25151 154 1 . 1 1 34 34 LYS N N 34 122.367 122.367 124.980 -2.613 25151 155 1 . 1 1 34 34 LYS HA H 34 4.085 4.085 4.193 -0.108 25151 156 1 . 1 1 34 34 LYS CA C 34 57.811 57.811 56.360 1.451 25151 157 1 . 1 1 34 34 LYS CB C 34 33.471 33.471 32.588 0.883 25151 158 1 . 1 1 34 34 LYS H H 34 8.123 8.123 8.354 -0.231 25151 stop_ save_